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Publisher: Elsevier   (Total: 3161 journals)

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Showing 1 - 200 of 3161 Journals sorted alphabetically
A Practical Logic of Cognitive Systems     Full-text available via subscription   (Followers: 9)
AASRI Procedia     Open Access   (Followers: 15)
Academic Pediatrics     Hybrid Journal   (Followers: 35, SJR: 1.655, CiteScore: 2)
Academic Radiology     Hybrid Journal   (Followers: 24, SJR: 1.015, CiteScore: 2)
Accident Analysis & Prevention     Partially Free   (Followers: 97, SJR: 1.462, CiteScore: 3)
Accounting Forum     Hybrid Journal   (Followers: 27, SJR: 0.932, CiteScore: 2)
Accounting, Organizations and Society     Hybrid Journal   (Followers: 37, SJR: 1.771, CiteScore: 3)
Achievements in the Life Sciences     Open Access   (Followers: 5)
Acta Anaesthesiologica Taiwanica     Open Access   (Followers: 7)
Acta Astronautica     Hybrid Journal   (Followers: 418, SJR: 0.758, CiteScore: 2)
Acta Automatica Sinica     Full-text available via subscription   (Followers: 2)
Acta Biomaterialia     Hybrid Journal   (Followers: 28, SJR: 1.967, CiteScore: 7)
Acta Colombiana de Cuidado Intensivo     Full-text available via subscription   (Followers: 2)
Acta de Investigación Psicológica     Open Access   (Followers: 3)
Acta Ecologica Sinica     Open Access   (Followers: 10, SJR: 0.18, CiteScore: 1)
Acta Haematologica Polonica     Free   (Followers: 1, SJR: 0.128, CiteScore: 0)
Acta Histochemica     Hybrid Journal   (Followers: 3, SJR: 0.661, CiteScore: 2)
Acta Materialia     Hybrid Journal   (Followers: 266, SJR: 3.263, CiteScore: 6)
Acta Mathematica Scientia     Full-text available via subscription   (Followers: 5, SJR: 0.504, CiteScore: 1)
Acta Mechanica Solida Sinica     Full-text available via subscription   (Followers: 9, SJR: 0.542, CiteScore: 1)
Acta Oecologica     Hybrid Journal   (Followers: 12, SJR: 0.834, CiteScore: 2)
Acta Otorrinolaringologica (English Edition)     Full-text available via subscription  
Acta Otorrinolaringológica Española     Full-text available via subscription   (Followers: 3, SJR: 0.307, CiteScore: 0)
Acta Pharmaceutica Sinica B     Open Access   (Followers: 1, SJR: 1.793, CiteScore: 6)
Acta Poética     Open Access   (Followers: 4, SJR: 0.101, CiteScore: 0)
Acta Psychologica     Hybrid Journal   (Followers: 27, SJR: 1.331, CiteScore: 2)
Acta Sociológica     Open Access   (Followers: 1)
Acta Tropica     Hybrid Journal   (Followers: 6, SJR: 1.052, CiteScore: 2)
Acta Urológica Portuguesa     Open Access  
Actas Dermo-Sifiliograficas     Full-text available via subscription   (Followers: 3, SJR: 0.374, CiteScore: 1)
Actas Dermo-Sifiliográficas (English Edition)     Full-text available via subscription   (Followers: 2)
Actas Urológicas Españolas     Full-text available via subscription   (Followers: 3, SJR: 0.344, CiteScore: 1)
Actas Urológicas Españolas (English Edition)     Full-text available via subscription   (Followers: 1)
Actualites Pharmaceutiques     Full-text available via subscription   (Followers: 6, SJR: 0.19, CiteScore: 0)
Actualites Pharmaceutiques Hospitalieres     Full-text available via subscription   (Followers: 3)
Acupuncture and Related Therapies     Hybrid Journal   (Followers: 8)
Acute Pain     Full-text available via subscription   (Followers: 14, SJR: 2.671, CiteScore: 5)
Ad Hoc Networks     Hybrid Journal   (Followers: 11, SJR: 0.53, CiteScore: 4)
Addictive Behaviors     Hybrid Journal   (Followers: 17, SJR: 1.29, CiteScore: 3)
Addictive Behaviors Reports     Open Access   (Followers: 8, SJR: 0.755, CiteScore: 2)
Additive Manufacturing     Hybrid Journal   (Followers: 11, SJR: 2.611, CiteScore: 8)
Additives for Polymers     Full-text available via subscription   (Followers: 23)
Advanced Drug Delivery Reviews     Hybrid Journal   (Followers: 161, SJR: 4.09, CiteScore: 13)
Advanced Engineering Informatics     Hybrid Journal   (Followers: 12, SJR: 1.167, CiteScore: 4)
Advanced Powder Technology     Hybrid Journal   (Followers: 17, SJR: 0.694, CiteScore: 3)
Advances in Accounting     Hybrid Journal   (Followers: 8, SJR: 0.277, CiteScore: 1)
Advances in Agronomy     Full-text available via subscription   (Followers: 15, SJR: 2.384, CiteScore: 5)
Advances in Anesthesia     Full-text available via subscription   (Followers: 28, SJR: 0.126, CiteScore: 0)
Advances in Antiviral Drug Design     Full-text available via subscription   (Followers: 2)
Advances in Applied Mathematics     Full-text available via subscription   (Followers: 10, SJR: 0.992, CiteScore: 1)
Advances in Applied Mechanics     Full-text available via subscription   (Followers: 11, SJR: 1.551, CiteScore: 4)
Advances in Applied Microbiology     Full-text available via subscription   (Followers: 24, SJR: 2.089, CiteScore: 5)
Advances In Atomic, Molecular, and Optical Physics     Full-text available via subscription   (Followers: 14, SJR: 0.572, CiteScore: 2)
Advances in Biological Regulation     Hybrid Journal   (Followers: 4, SJR: 2.61, CiteScore: 7)
Advances in Botanical Research     Full-text available via subscription   (Followers: 2, SJR: 0.686, CiteScore: 2)
Advances in Cancer Research     Full-text available via subscription   (Followers: 34, SJR: 3.043, CiteScore: 6)
Advances in Carbohydrate Chemistry and Biochemistry     Full-text available via subscription   (Followers: 9, SJR: 1.453, CiteScore: 2)
Advances in Catalysis     Full-text available via subscription   (Followers: 5, SJR: 1.992, CiteScore: 5)
Advances in Cell Aging and Gerontology     Full-text available via subscription   (Followers: 4)
Advances in Cellular and Molecular Biology of Membranes and Organelles     Full-text available via subscription   (Followers: 13)
Advances in Chemical Engineering     Full-text available via subscription   (Followers: 27, SJR: 0.156, CiteScore: 1)
Advances in Child Development and Behavior     Full-text available via subscription   (Followers: 10, SJR: 0.713, CiteScore: 1)
Advances in Chronic Kidney Disease     Full-text available via subscription   (Followers: 10, SJR: 1.316, CiteScore: 2)
Advances in Clinical Chemistry     Full-text available via subscription   (Followers: 26, SJR: 1.562, CiteScore: 3)
Advances in Colloid and Interface Science     Full-text available via subscription   (Followers: 19, SJR: 1.977, CiteScore: 8)
Advances in Computers     Full-text available via subscription   (Followers: 14, SJR: 0.205, CiteScore: 1)
Advances in Dermatology     Full-text available via subscription   (Followers: 15)
Advances in Developmental Biology     Full-text available via subscription   (Followers: 12)
Advances in Digestive Medicine     Open Access   (Followers: 9)
Advances in DNA Sequence-Specific Agents     Full-text available via subscription   (Followers: 7)
Advances in Drug Research     Full-text available via subscription   (Followers: 25)
Advances in Ecological Research     Full-text available via subscription   (Followers: 44, SJR: 2.524, CiteScore: 4)
Advances in Engineering Software     Hybrid Journal   (Followers: 28, SJR: 1.159, CiteScore: 4)
Advances in Experimental Biology     Full-text available via subscription   (Followers: 8)
Advances in Experimental Social Psychology     Full-text available via subscription   (Followers: 46, SJR: 5.39, CiteScore: 8)
Advances in Exploration Geophysics     Full-text available via subscription   (Followers: 1)
Advances in Fluorine Science     Full-text available via subscription   (Followers: 9)
Advances in Food and Nutrition Research     Full-text available via subscription   (Followers: 60, SJR: 0.591, CiteScore: 2)
Advances in Fuel Cells     Full-text available via subscription   (Followers: 16)
Advances in Genetics     Full-text available via subscription   (Followers: 18, SJR: 1.354, CiteScore: 4)
Advances in Genome Biology     Full-text available via subscription   (Followers: 10, SJR: 12.74, CiteScore: 13)
Advances in Geophysics     Full-text available via subscription   (Followers: 6, SJR: 1.193, CiteScore: 3)
Advances in Heat Transfer     Full-text available via subscription   (Followers: 24, SJR: 0.368, CiteScore: 1)
Advances in Heterocyclic Chemistry     Full-text available via subscription   (Followers: 12, SJR: 0.749, CiteScore: 3)
Advances in Human Factors/Ergonomics     Full-text available via subscription   (Followers: 23)
Advances in Imaging and Electron Physics     Full-text available via subscription   (Followers: 2, SJR: 0.193, CiteScore: 0)
Advances in Immunology     Full-text available via subscription   (Followers: 36, SJR: 4.433, CiteScore: 6)
Advances in Inorganic Chemistry     Full-text available via subscription   (Followers: 8, SJR: 1.163, CiteScore: 2)
Advances in Insect Physiology     Full-text available via subscription   (Followers: 2, SJR: 1.938, CiteScore: 3)
Advances in Integrative Medicine     Hybrid Journal   (Followers: 6, SJR: 0.176, CiteScore: 0)
Advances in Intl. Accounting     Full-text available via subscription   (Followers: 3)
Advances in Life Course Research     Hybrid Journal   (Followers: 8, SJR: 0.682, CiteScore: 2)
Advances in Lipobiology     Full-text available via subscription   (Followers: 1)
Advances in Magnetic and Optical Resonance     Full-text available via subscription   (Followers: 8)
Advances in Marine Biology     Full-text available via subscription   (Followers: 18, SJR: 0.88, CiteScore: 2)
Advances in Mathematics     Full-text available via subscription   (Followers: 11, SJR: 3.027, CiteScore: 2)
Advances in Medical Sciences     Hybrid Journal   (Followers: 7, SJR: 0.694, CiteScore: 2)
Advances in Medicinal Chemistry     Full-text available via subscription   (Followers: 5)
Advances in Microbial Physiology     Full-text available via subscription   (Followers: 4, SJR: 1.158, CiteScore: 3)
Advances in Molecular and Cell Biology     Full-text available via subscription   (Followers: 23)
Advances in Molecular and Cellular Endocrinology     Full-text available via subscription   (Followers: 8)
Advances in Molecular Toxicology     Full-text available via subscription   (Followers: 7, SJR: 0.182, CiteScore: 0)
Advances in Nanoporous Materials     Full-text available via subscription   (Followers: 3)
Advances in Oncobiology     Full-text available via subscription   (Followers: 2)
Advances in Organ Biology     Full-text available via subscription   (Followers: 2)
Advances in Organometallic Chemistry     Full-text available via subscription   (Followers: 17, SJR: 1.875, CiteScore: 4)
Advances in Parallel Computing     Full-text available via subscription   (Followers: 7, SJR: 0.174, CiteScore: 0)
Advances in Parasitology     Full-text available via subscription   (Followers: 5, SJR: 1.579, CiteScore: 4)
Advances in Pediatrics     Full-text available via subscription   (Followers: 24, SJR: 0.461, CiteScore: 1)
Advances in Pharmaceutical Sciences     Full-text available via subscription   (Followers: 12)
Advances in Pharmacology     Full-text available via subscription   (Followers: 16, SJR: 1.536, CiteScore: 3)
Advances in Physical Organic Chemistry     Full-text available via subscription   (Followers: 8, SJR: 0.574, CiteScore: 1)
Advances in Phytomedicine     Full-text available via subscription  
Advances in Planar Lipid Bilayers and Liposomes     Full-text available via subscription   (Followers: 3, SJR: 0.109, CiteScore: 1)
Advances in Plant Biochemistry and Molecular Biology     Full-text available via subscription   (Followers: 10)
Advances in Plant Pathology     Full-text available via subscription   (Followers: 5)
Advances in Porous Media     Full-text available via subscription   (Followers: 5)
Advances in Protein Chemistry     Full-text available via subscription   (Followers: 19)
Advances in Protein Chemistry and Structural Biology     Full-text available via subscription   (Followers: 20, SJR: 0.791, CiteScore: 2)
Advances in Psychology     Full-text available via subscription   (Followers: 65)
Advances in Quantum Chemistry     Full-text available via subscription   (Followers: 6, SJR: 0.371, CiteScore: 1)
Advances in Radiation Oncology     Open Access   (Followers: 1, SJR: 0.263, CiteScore: 1)
Advances in Small Animal Medicine and Surgery     Hybrid Journal   (Followers: 3, SJR: 0.101, CiteScore: 0)
Advances in Space Biology and Medicine     Full-text available via subscription   (Followers: 6)
Advances in Space Research     Full-text available via subscription   (Followers: 405, SJR: 0.569, CiteScore: 2)
Advances in Structural Biology     Full-text available via subscription   (Followers: 5)
Advances in Surgery     Full-text available via subscription   (Followers: 12, SJR: 0.555, CiteScore: 2)
Advances in the Study of Behavior     Full-text available via subscription   (Followers: 34, SJR: 2.208, CiteScore: 4)
Advances in Veterinary Medicine     Full-text available via subscription   (Followers: 18)
Advances in Veterinary Science and Comparative Medicine     Full-text available via subscription   (Followers: 14)
Advances in Virus Research     Full-text available via subscription   (Followers: 5, SJR: 2.262, CiteScore: 5)
Advances in Water Resources     Hybrid Journal   (Followers: 47, SJR: 1.551, CiteScore: 3)
Aeolian Research     Hybrid Journal   (Followers: 6, SJR: 1.117, CiteScore: 3)
Aerospace Science and Technology     Hybrid Journal   (Followers: 351, SJR: 0.796, CiteScore: 3)
AEU - Intl. J. of Electronics and Communications     Hybrid Journal   (Followers: 8, SJR: 0.42, CiteScore: 2)
African J. of Emergency Medicine     Open Access   (Followers: 6, SJR: 0.296, CiteScore: 0)
Ageing Research Reviews     Hybrid Journal   (Followers: 11, SJR: 3.671, CiteScore: 9)
Aggression and Violent Behavior     Hybrid Journal   (Followers: 464, SJR: 1.238, CiteScore: 3)
Agri Gene     Hybrid Journal   (Followers: 1, SJR: 0.13, CiteScore: 0)
Agricultural and Forest Meteorology     Hybrid Journal   (Followers: 17, SJR: 1.818, CiteScore: 5)
Agricultural Systems     Hybrid Journal   (Followers: 31, SJR: 1.156, CiteScore: 4)
Agricultural Water Management     Hybrid Journal   (Followers: 42, SJR: 1.272, CiteScore: 3)
Agriculture and Agricultural Science Procedia     Open Access   (Followers: 4)
Agriculture and Natural Resources     Open Access   (Followers: 3)
Agriculture, Ecosystems & Environment     Hybrid Journal   (Followers: 57, SJR: 1.747, CiteScore: 4)
Ain Shams Engineering J.     Open Access   (Followers: 5, SJR: 0.589, CiteScore: 3)
Air Medical J.     Hybrid Journal   (Followers: 6, SJR: 0.26, CiteScore: 0)
AKCE Intl. J. of Graphs and Combinatorics     Open Access   (SJR: 0.19, CiteScore: 0)
Alcohol     Hybrid Journal   (Followers: 12, SJR: 1.153, CiteScore: 3)
Alcoholism and Drug Addiction     Open Access   (Followers: 11)
Alergologia Polska : Polish J. of Allergology     Full-text available via subscription   (Followers: 1)
Alexandria Engineering J.     Open Access   (Followers: 1, SJR: 0.604, CiteScore: 3)
Alexandria J. of Medicine     Open Access   (Followers: 1, SJR: 0.191, CiteScore: 1)
Algal Research     Partially Free   (Followers: 10, SJR: 1.142, CiteScore: 4)
Alkaloids: Chemical and Biological Perspectives     Full-text available via subscription   (Followers: 2)
Allergologia et Immunopathologia     Full-text available via subscription   (Followers: 1, SJR: 0.504, CiteScore: 1)
Allergology Intl.     Open Access   (Followers: 5, SJR: 1.148, CiteScore: 2)
Alpha Omegan     Full-text available via subscription   (SJR: 3.521, CiteScore: 6)
ALTER - European J. of Disability Research / Revue Européenne de Recherche sur le Handicap     Full-text available via subscription   (Followers: 10, SJR: 0.201, CiteScore: 1)
Alzheimer's & Dementia     Hybrid Journal   (Followers: 53, SJR: 4.66, CiteScore: 10)
Alzheimer's & Dementia: Diagnosis, Assessment & Disease Monitoring     Open Access   (Followers: 4, SJR: 1.796, CiteScore: 4)
Alzheimer's & Dementia: Translational Research & Clinical Interventions     Open Access   (Followers: 4, SJR: 1.108, CiteScore: 3)
Ambulatory Pediatrics     Hybrid Journal   (Followers: 6)
American Heart J.     Hybrid Journal   (Followers: 53, SJR: 3.267, CiteScore: 4)
American J. of Cardiology     Hybrid Journal   (Followers: 57, SJR: 1.93, CiteScore: 3)
American J. of Emergency Medicine     Hybrid Journal   (Followers: 44, SJR: 0.604, CiteScore: 1)
American J. of Geriatric Pharmacotherapy     Full-text available via subscription   (Followers: 10)
American J. of Geriatric Psychiatry     Hybrid Journal   (Followers: 14, SJR: 1.524, CiteScore: 3)
American J. of Human Genetics     Hybrid Journal   (Followers: 34, SJR: 7.45, CiteScore: 8)
American J. of Infection Control     Hybrid Journal   (Followers: 29, SJR: 1.062, CiteScore: 2)
American J. of Kidney Diseases     Hybrid Journal   (Followers: 35, SJR: 2.973, CiteScore: 4)
American J. of Medicine     Hybrid Journal   (Followers: 48)
American J. of Medicine Supplements     Full-text available via subscription   (Followers: 3, SJR: 1.967, CiteScore: 2)
American J. of Obstetrics and Gynecology     Hybrid Journal   (Followers: 221, SJR: 2.7, CiteScore: 4)
American J. of Ophthalmology     Hybrid Journal   (Followers: 66, SJR: 3.184, CiteScore: 4)
American J. of Ophthalmology Case Reports     Open Access   (Followers: 5, SJR: 0.265, CiteScore: 0)
American J. of Orthodontics and Dentofacial Orthopedics     Full-text available via subscription   (Followers: 6, SJR: 1.289, CiteScore: 1)
American J. of Otolaryngology     Hybrid Journal   (Followers: 25, SJR: 0.59, CiteScore: 1)
American J. of Pathology     Hybrid Journal   (Followers: 28, SJR: 2.139, CiteScore: 4)
American J. of Preventive Medicine     Hybrid Journal   (Followers: 29, SJR: 2.164, CiteScore: 4)
American J. of Surgery     Hybrid Journal   (Followers: 38, SJR: 1.141, CiteScore: 2)
American J. of the Medical Sciences     Hybrid Journal   (Followers: 12, SJR: 0.767, CiteScore: 1)
Ampersand : An Intl. J. of General and Applied Linguistics     Open Access   (Followers: 7)
Anaerobe     Hybrid Journal   (Followers: 4, SJR: 1.144, CiteScore: 3)
Anaesthesia & Intensive Care Medicine     Full-text available via subscription   (Followers: 63, SJR: 0.138, CiteScore: 0)
Anaesthesia Critical Care & Pain Medicine     Full-text available via subscription   (Followers: 18, SJR: 0.411, CiteScore: 1)
Anales de Cirugia Vascular     Full-text available via subscription   (Followers: 1)
Anales de Pediatría     Full-text available via subscription   (Followers: 3, SJR: 0.277, CiteScore: 0)
Anales de Pediatría (English Edition)     Full-text available via subscription  
Anales de Pediatría Continuada     Full-text available via subscription  
Analytic Methods in Accident Research     Hybrid Journal   (Followers: 5, SJR: 4.849, CiteScore: 10)
Analytica Chimica Acta     Hybrid Journal   (Followers: 42, SJR: 1.512, CiteScore: 5)
Analytical Biochemistry     Hybrid Journal   (Followers: 186, SJR: 0.633, CiteScore: 2)
Analytical Chemistry Research     Open Access   (Followers: 12, SJR: 0.411, CiteScore: 2)
Analytical Spectroscopy Library     Full-text available via subscription   (Followers: 12)
Anesthésie & Réanimation     Full-text available via subscription   (Followers: 2)
Anesthesiology Clinics     Full-text available via subscription   (Followers: 23, SJR: 0.683, CiteScore: 2)
Angiología     Full-text available via subscription   (SJR: 0.121, CiteScore: 0)
Angiologia e Cirurgia Vascular     Open Access   (Followers: 1, SJR: 0.111, CiteScore: 0)
Animal Behaviour     Hybrid Journal   (Followers: 206, SJR: 1.58, CiteScore: 3)

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Journal Cover
Advances in Inorganic Chemistry
Journal Prestige (SJR): 1.163
Citation Impact (citeScore): 2
Number of Followers: 8  
 
  Full-text available via subscription Subscription journal
ISSN (Print) 0898-8838
Published by Elsevier Homepage  [3161 journals]
  • Metal-metal interactions in binuclear cyclopentadienylmetal carbonyls:
           Extending insight from experimental work through computational studies
    • Abstract: Publication date: Available online 11 February 2019Source: Advances in Inorganic ChemistryAuthor(s): R. Bruce King Binuclear cyclopentadienylmetal carbonyls of the type Cp2M2(CO)n (Cp = η5-C5H5) provide examples of stable compounds containing formal metal-metal double and triple bonds. In order to probe the extent of this rich area of organometallic chemistry, systematic theoretical studies on such binuclear derivatives of all of the first row transition metals, selected second and third row transition metals (Nb, Mo, Re, Os), lanthanides (La, Lu), and actinides (Th, U) have been undertaken in recent years using well-established density functional methods. In order to focus on the trends in the preferred Cp2M2(CO)n structures, the lowest energy such structures found in these studies are examined in this review. In most cases, except for titanium and the f-block metals, the favored structures have 18-electron configurations for both metal atoms. Structures having metal-metal triple bonds are favored over structures having metal-metal double bonds and metal-metal quadruple bonds. In many cases the doubly bonded structures are energetically disfavored with respect to disproportionation into singly and triply bonded structures as exemplified by the experimentally observed disproportionation of Cp2Cr2(CO)5 into Cp2Cr2(CO)6 + Cp2Cr2(CO)4. Quadruply bonded singlet Cp2M2(CO)n structures having 18-electron metal configurations lie at higher energies than isomeric triply bonded structures having 17-electron metal configurations for the first row transition metals ranging from vanadium to iron. This can relate to the weakness of the orbital overlap in the δ component of the quadruple bond. Four-electron donor bridging η2-μ-CO groups bonded to a central M2 unit through both their carbon and oxygen atoms are found in low-energy Cp2M2(CO)n structures of the oxophilic early transition metals titanium, vanadium, and niobium. Such bridging η2-μ-CO groups dominate in the predicted low-energy structures for the experimentally still unknown Cp2M2(CO)n (n = 4, 3, 2) derivatives of the f-block metals. However, for the lanthanides, as exemplified by lanthanum and lutetium, such η2-μ-CO groups couple through CC bond formation in the lowest energy structures to form bridging C2O2 and C3O3 units. This can be related to the reductive coupling of carbon monoxide to CnOn2 − (n = 2, 3, 4) dianions in cyclopentadienyl-cyclooctatetraene uranium(III) systems observed experimentally by Cloke and coworkers.
       
  • The beryllium bond
    • Abstract: Publication date: Available online 5 February 2019Source: Advances in Inorganic ChemistryAuthor(s): M. Merced Montero-Campillo, Otilia Mó, Manuel Yáñez, Ibon Alkorta, José Elguero This chapter describes the strong and weak interactions of beryllium to form covalent bonds and beryllium bonds. We start from the challenging description of bonding in the beryllium dimer, trimer and larger clusters, followed by a brief review of other beryllium-beryllium bonds and organoberyllium compounds. Thereafter, the beryllium bond is defined and characterized in binary complexes, and it's very strong effects on the acid/base properties of the attached molecules reported. The last sections discuss the effect of the beryllium bond on reactivity and cooperative effects of compounds containing several beryllium bonds.
       
  • Schrock vs Fischer carbenes: A quantum chemical perspective
    • Abstract: Publication date: Available online 4 February 2019Source: Advances in Inorganic ChemistryAuthor(s): Joonghee Won, Hoimin Jung, Manoj V. Mane, Joon Heo, Seongyeon Kwon, Mu-Hyun Baik Early and late transition metal-carbon multiple bonds that have been widely used for many catalytic processes, organic transformations, and olefin metathesis reactions are described. Especially, the development of Schrock and Fischer type olefin metathesis catalysts aided by computational studies is discussed, focusing on work that aims at improving the reactivity, stability, and regioselectivity. The intriguing electronic feature and reactivity of a titanium alkylidyne, which leads to many unique transformations of organic molecules, are summarized. The development of Fischer type olefin metathesis catalysts to control the regioselectivity in cyclopolymerization of diynes with RuII-alkylidene catalysts employing quantum chemical studies is summarized.
       
  • Stacking interaction potential energy surfaces of square-planar metal
           complexes containing chelate rings
    • Abstract: Publication date: Available online 29 January 2019Source: Advances in Inorganic ChemistryAuthor(s): Jelena P. Blagojević Filipović, Michael B. Hall, Snežana D. Zarić Stacking interactions of metal chelate rings, chelate-aryl and chelate-chelate stacking, have been recognized by analyzing crystal structures in the Cambridge Structural Database, while the energies of the interactions have been obtained by high level quantum chemical calculations, including the CCSD(T)/CBS level, that is considered to be the gold standard in quantum chemistry. In this review we present data on calculated potential energy surfaces of metal chelate ring stacking interactions for nickel, copper, zinc, palladium, and platinum, and two chelate ligands, acac-type and dithiolene. The data show that both, the nature of the metal atom and the nature of the coordinated chelate ligand, have significant influence on the geometries, as well as on the energies of the interactions. The most stable geometries of the chelate-aryl and chelate-chelate stacking geometries are various parallel-displaced geometries, in both cases. The calculated aryl-chelate stacking interaction energies of minima on potential curves are quite strong, from − 5.36 (for Pt-acac type chelate) to − 7.52 kcal/mol (for Zn-acac type chelate). These interactions are significantly stronger than stacking interaction between two benzene molecules (− 2.73 kcal/mol). The chelate-chelate stacking interactions are even stronger, from − 9.21 (for Pd-acac type chelate) to − 10.34 kcal/mol (for Ni-dithiolene chelate). The data on metal chelate stacking interactions indicate that the strength of the stacking interactions can be varied by varying metals and ligands, which is important for crystal engineering, material science and other supramolecular structures, including biological systems.
       
  • Novel aspects of element-element bonds in main group chemistry
    • Abstract: Publication date: Available online 29 January 2019Source: Advances in Inorganic ChemistryAuthor(s): Christina Poggel, Gernot Frenking In this chapter, the latest work on unusual main group compounds is described. We highlight the computational studies on beryllium compounds possessing extremely short Be-Be distances but showing no bonding interaction between the group 2 elements. The second part of this chapter focuses on the tremendous progress that has been made in the field of low-coordinated group 14 and 15 compounds containing element-element bonds. All in all, we demonstrate that the use of a dative bonding model helps to describe and predict a broad spectrum of main group complexes.
       
  • Quantitative descriptors of electronic structure in the framework of
           molecular orbital theory
    • Abstract: Publication date: Available online 28 January 2019Source: Advances in Inorganic ChemistryAuthor(s): Serge I. Gorelsky Molecular orbital theory and its fragment orbital approach allow computational chemists to analyze complicated wavefunctions using familiar and highly intuitive concepts of chemical bonding. In this chapter, we discuss electronic structure descriptors such as atomic charges, molecular orbital compositions, 2- and multi-center bond orders as tools for the analysis of chemical bonding in organic and inorganic compounds. Further, we demonstrate the usage of an approach of building wavefunctions of multi-component systems from fragment wavefunctions in different problems of the molecular orbital analysis. This approach can be applied to answer questions ranging from evaluation of contributions to the total electronic interaction energy from individual pairs of orbital interactions to the valence description in redox noninnocent complexes. Calculation of these electronic structure descriptors is done using wavefunctions obtained from common quantum mechanical software packages, thus, greatly simplifying this analysis.
       
  • Cation affinities throughout the periodic table
    • Abstract: Publication date: Available online 25 January 2019Source: Advances in Inorganic ChemistryAuthor(s): Zakaria Boughlala, Célia Fonseca Guerra, F. Matthias Bickelhaupt We discuss the concept of cation affinities (CA) and provide an overview of topical trends throughout the periodic table, inferred from state-of-the-art relativistic quantum-chemical computations. The CA of a base B(−) for a cation Y+ is the energy or enthalpy required to dissociate the complex BY(+) into molecular fragments B(−) and Y+. Probably the best-known CA is the proton affinity (PA) of Lewis bases. We extend this concept here to include methyl cation (MCA) and other alkyl cation affinities (ACA) as well as alkali metal cation affinities (AMCA). The Lewis bases covered herein are the anionic and neutral element hydrides B− = XHn−1− and B = XHn, respectively, as well as methyl-substituted variants thereof. The element “X” in our model Lewis bases covers the maingroup elements of groups 14–18 in rows 1–6 of the periodic table. Emerging trends are analyzed and explained in terms of quantitative molecular orbital (MO) theory as contained in Kohn–Sham density functional theory (KS-DFT). Making the often implicitly used idea of a CA explicit serves a more rational design of compounds with a particular affinity for, or reactivity toward, other species throughout the molecular sciences, from inorganic via organic to biological chemistry.
       
  • Molecular modeling of transition metal and rare earth coordination
           compounds
    • Abstract: Publication date: Available online 14 January 2019Source: Advances in Inorganic ChemistryAuthor(s): Peter Comba, Bodo Martin Various approaches of computational chemistry for the modeling of structures, electronic properties and reactivities of transition metal and rare earth metal complexes are discussed, including molecular mechanics (MM), ligand field theory (LFT), density functional theory (DFT) and ab initio quantum chemical methods. The discussion is based on three examples, i.e., the structure determination of an isomeric pair of hexamine cobalt(III) cage complexes with strikingly different electronic and electrochemical properties and similar stabilities. It is shown that in this example, a simple and fast MM calculation in combination with ligand field theory (angular overlap model calculations, AOM) leads to an accurate result. The second example shows that for a thorough interpretation of the electronic and magnetic properties of a dysprosium(III) complex and its optimization as a single molecule magnet (SMM), ab initio quantum mechanics in combination with ligand field theory is the preferred approach. It is also shown how these results are validated with a ligand field theory based analysis of spectroscopic data. In the third example, the reactivity of high-valent iron oxidants is analyzed with DFT calculations, and it is shown that this type of analysis is more problematic than generally appreciated.
       
  • Structure and bonding in endohedral transition metal clusters
    • Abstract: Publication date: Available online 14 January 2019Source: Advances in Inorganic ChemistryAuthor(s): Xiao Jin, John E. McGrady Endohedral clusters of the tetrel elements, M@En, provide a diverse platform for exploring chemical bonding, simply because the cluster does not necessarily depend on strong M–E bonding for its integrity. The interaction between the metal and the cluster can therefore range from strongly covalent all the way to cases where the metal is simply trapped inside the cage by virtue of the strong E-E bonds, with little or no direct bonding. This spectrum of bond types leads to unusual structural, spectroscopic and magnetic properties that we seek to rationalize in this review. The clusters of interest are drawn from the field of Zintl-ion chemistry, typically containing the heavier tetrels, and also from the gas-phase spectroscopy of metal-silicon clusters. By highlighting the close relationships between the molecules studied in these two rather different disciplines, we establish a continuum framework that places all of the available experimental data in context.
       
  • Prediction of ion selectivity by quantum chemical calculations X: A recent
           (personal) review
    • Abstract: Publication date: Available online 3 January 2019Source: Advances in Inorganic ChemistryAuthor(s): Ralph Puchta, Svetlana Begel, Rudi van Eldik In this review we present a simple and robust method to investigate the ion selectivity of cryptands based on quantum chemical methods. Based on easily understandable model equations and fundamental structural consideration one can rationalize or predict the observed selectivity and the underlying structural conditions. Additionally, we can learn unhampered from neighboring effects the changes in the cryptand to host the ions most effectively. The performance of this concept is demonstrated on several well known cryptands from different supramolecular groups like Lehn and others.
       
  • Bifunctional aliphatic PNP pincer catalysts for hydrogenation: Mechanisms
           and scope
    • Abstract: Publication date: Available online 21 December 2018Source: Advances in Inorganic ChemistryAuthor(s): Zhihong Wei, Haijun Jiao Hydrogenation is one of the important transformation methodologies in academia and applied research; and homogeneous hydrogenation by using defined transition metal complexes provides the opportunity to fine-tuning the catalytic activity via either metal substitution or ligand modification. Recent studies in the synthesis, characterization and evaluation of transition metal based aliphatic HN(CH2CH2R2) chelating ligand complexes show excellent catalytic performances in the reactions of hydrogenation, transfer hydrogenation and isomerization of carbonyl compounds, as well as aqueous methanol dehydrogenation which includes formic acid dehydrogenation in the last step. It is found that B3PW91 computed gas phase kinetic and thermodynamic data have the closest and best agreement with the experiments, while those including solvation effects and/or dispersion corrections differ strongly from the experiments. Current solvation models and dispersion corrections applied in these hydrogenation reactions are not sufficient enough for quantitative comparison. In this review, the results from earth-abundant (Fe, Mn) to precious (Ru, Os, Ir) metals based PNP complexes used in the hydrogenation of esters and aldehydes are summarized. It shows clearly that Fe- and Mn-based PNP catalysts can be as effective as Ru-, Os- and Ir-based PNP catalysts. The B3PW91 results perfectly explained the experimentally observed selectivity of transfer hydrogenation of α,β-unsaturated aldehydes and ketones, as well as the isomerization of allyl alcohol on the basis of self-transfer hydrogenation. Such interplay between computation and experiment not only streamlines the experimentally observed results, but also offers the understanding of the reaction mechanisms and reaction conditions.
       
  • Molecular+simulations+of+crystal+growth:+From+understanding+to+tailoring&rft.title=Advances+in+Inorganic+Chemistry&rft.issn=0898-8838&rft.date=&rft.volume=">Molecular simulations of crystal growth: From understanding to tailoring
    • Abstract: Publication date: Available online 21 December 2018Source: Advances in Inorganic ChemistryAuthor(s): Patrick Duchstein, Philipp Ectors, Dirk Zahn Modern approaches to molecular simulations allow an increasingly accurate account of modeling crystal growth. Starting with easy-to-use modeling tools of limited predictive power, we review the recent progress in the field. The complexity of crystal growth calls for scale-bridging methods to provide high accuracy of describing atomic interactions where crucially needed, while effectively crossing time and length scales to ensure convergence from the viewpoint of statistical significance. By picking landmark case studies rather than claiming completeness, we illustrate the current forefront of modeling crystal growth. This includes shape prediction from connecting molecular scale simulations to μm sized crystallite models, the role of ripening reactions and of surfactant molecules. While there is still much room for improving computational efficiency and user-friendliness of the methods, the in-depth mechanistic understanding at reach makes molecular simulations an increasingly attractive tool for tailoring crystal growth.
       
  • Toward accurate spin-state energetics of transition metal complexes
    • Abstract: Publication date: Available online 21 December 2018Source: Advances in Inorganic ChemistryAuthor(s): Mariusz Radoń The ability to conclusively predict relative energies of different spin states for transition metal complexes and metal sites in enzymes is highly relevant in (bio)inorganic chemistry, but poses an outstanding challenge for quantum chemical calculations. We discuss representative applications of wave function theory (WFT) and density functional theory (DFT) methods to compelling transition metal complexes and models of active sites in metalloenzymes, aiming not only to resolve some existing controversies with spin-state predictions, but also to develop reliable, yet efficient computational protocols for the problem of spin-state energetics. The presented examples confirm that DFT results are highly dependent on the choice of exchange–correlation functional and the optimal choice is not universal, even when considering different spin-state gaps in the same molecule. Mechanistic consequences of these issues are emphasized for spin-forbidden ligand binding. Among the WFT methods, a high accuracy of the single-reference coupled cluster CCSD(T) method is confirmed by a number of examples studied, including systems with noticeable nondynamic correlation effects. However, we point out that in some cases controversial results are obtained also from WFT calculations calling for further benchmarking of quantum chemistry methods with respect to quantitative experimental data of spin-state energetics. In this regard, the environmental (solvation or crystal packing) effects on relative spin-state energetics must be accounted for when comparing theory with experiment.
       
  • Chapter Nine - Abatement of Volatile Organic Compounds Emission as a
           Target for Various Human Activities Including Energy Production
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 72Author(s): Piotr Kuśtrowski, Anna Rokicińska, Tomasz Kondratowicz In this review, the issue of volatile organic compounds (VOCs) emission is discussed in detail. Various sources of VOCs release, especially related to stationary and mobile fuel combustion, are presented. Successive changes in the distribution of fuels toward a utilization of growing amounts of biocomponents are underscored. The impact of different kinds of VOCs emitted to the atmosphere on the environment and human health is discussed within the context of tightening regulations. Main remediation methods developed for the elimination of VOCs are shown with a special emphasis on the catalytic total oxidation. We present advantages of this approach in comparison to the thermal oxidation performed at significantly higher temperatures in the absence of a catalyst. The most important features of catalysts studied in the VOCs combustion, as well as the speculated reaction mechanisms, are elaborated. The catalytic performance and stability of noble metal–containing materials are compared critically to transition metal oxides. Finally, combining adsorption with subsequent catalytic conversion is revealed as a very promising way to abate amounts of emitted VOCs.
       
  • Chapter Eight - Advances in Functionalization of Inorganic Porous
           Materials for Environmental Catalysis
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 72Author(s): Lucjan Chmielarz, Małgorzata Rutkowska, Andrzej Kowalczyk Various methods of silica and silica–alumina inorganic porous materials functionalization (zeolites, mesoporous silica sieves, and cationic layered clay minerals), for selected processes of environmental catalysis (NO reduction by ammonia, N2O reduction and decomposition, NH3 oxidation to N2, and synthesis of ethers from alcohols), are presented and critically discussed. In the case of zeolites, various strategies for the preparation of materials with hierarchical mesoporous–microporous structures enabling faster internal diffusion of reactants are presented and discussed as catalysts for nitrogen oxide and ammonia conversions. Various methods of catalytically active metals deposition in the form of monomeric cations and aggregated oxide species on mesoporous silica supports, resulting in their uniform distribution, are presented as effective methods for the synthesis of catalysts for the selected environmental processes. Two different strategies for intercalation of cationic layered clay minerals with inorganic pillars are presented and critically discussed as effective methods for the preparation of catalysts for NOx conversion and production of ethers from alcohols. The presented analyses and discussion are mainly based on studies and experience of the authors of this chapter.
       
  • Chapter Seven - Integrated and Sustainable Solutions for Li-ion Energy
           Storage Systems
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 72Author(s): Michał Świętosławski, Monika Bakierska, Joanna Pacek, Krystian Chudzik, Marcelina Lis, Weronika Marszałowicz, Rafał Knura, Marcin Molenda This paper describes the most prominent directions in electrode materials production and development. The batteries' market demand for such solutions is bigger than ever before, and the current trends clearly suggest that this direction will not change in the near future. In this review on electrode materials, we present the most interesting technologies which in our opinion could fill the gap between limitations of current Li-ion systems and sustainable development of automotive and energy industries.
       
  • Chapter Six - New Trends in Electrochemical Capacitors
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 72Author(s): Adam Slesinski, Krzysztof Fic, Elzbieta Frackowiak This chapter provides an overview of electrochemical capacitors (ECs) technology. General principles of ion adsorption and interfacial phenomena governing the energy storage in these devices are discussed. True capacitance metrics and appropriate measurement conditions are demonstrated and followed by a discussion of the electrode materials and electrolytes most often applied. Novel trends in ECs, such as pseudocapacitance from electrolytic solutions and hybrid Li-ion capacitors, are also presented.
       
  • Chapter Five - Charge-Transporting Materials for Perovskite Solar Cells
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 72Author(s): Sadia Ameen, M. Shaheer Akhtar, Hyung-Shik Shin, Mohammad Khaja Nazeeruddin The power conversion efficiency of perovskite solar cells (PSCs) has been certified as ∼22.1%, approaching the best single crystalline silicon solar cells. The improvement in the performance of PSCs could be achieved through the testing of novel materials in the device. This review briefly discusses the systematic introduction about several inorganic and organic electron-transporting materials (ETMs) and hole-transporting materials (HTMs) for efficient PSCs. The transport mechanism of electrons and holes in different ETMs/HTMs is also discussed on the basis of energy band diagrams with respect to the perovskite absorber. Moreover, the introduction of appropriate interfacial materials, hybrid ETMs, and doping is discussed to optimize the interfacial electronic properties between the perovskite layer and the charge-collecting electrode.
       
  • Chapter Four - Oxide Nanomaterials for Photoelectrochemical Hydrogen
           Energy Sources
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 72Author(s): Marta Radecka, Anna Kusior, Anita Trenczek-Zajac, Katarzyna Zakrzewska Tremendous efforts aimed at the development of efficient, renewable, and ecologically safe hydrogen energy sources are still observed. The remarkable progress in the design and engineering of oxide nanomaterials to be applied as photoelectrodes in photoelectrochemical cells for water splitting is discussed in this chapter. This review focuses on fundamental contributions to the efficiency of solar–chemical conversion such as light harvesting, electron transport, and solid–solid junction. Our own results on 1D, 2D, and 3D TiO2 along with those on heterostructures of TiO2/CdS, TiO2/SnO2, TiO2/MoS2, and TiO2/GO are presented on the background of a thorough literature overview.
       
  • Chapter Three - Photocatalytic Synthesis of Chemicals
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 72Author(s): Marcin Kobielusz, Paweł Mikrut, Wojciech Macyk Although production of solar fuels from water or carbon dioxide seems still too expensive to compete with fossil fuels, application of photocatalysis for synthesis of valuable organic chemicals may appear an interesting approach. The use of a photocatalyst and light as the energy source can be considered as a green, sustainable alternative for other methods of fine chemicals production. In this chapter we review approaches to synthesize organic compounds in heterogeneous photocatalytic systems. The described reactions can be divided into three main groups due to their mechanisms: (1) reactions of organic substrates with photocatalytically activated small molecules; (2) a direct photocatalytic activation of one organic substrate; and (3) reactions involving a direct activation of two organic molecules. The understanding of plausible mechanisms of the photocatalytic reactions and properties of photocatalytic systems favoring the desired reaction should facilitate the design of new photocatalysts and convenient conditions to synthesize new specific chemicals.
       
  • Chapter Two - Visible Light-Responsive Photocatalysts—From TiO2 to
           Carbon Nitrides and Boron Carbon Nitride
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 72Author(s): Bo Wang, Masakazu Anpo, Xinchen Wang It can be said that energy depletion and environmental pollution on a global scale are the most serious and urgent issues facing mankind in recent times. It is, thus, vital to design novel energy production and conversion systems that utilize natural energy and allow sustainable development without environmental destruction or pollution. In line with these objectives, the decomposition of H2O into H2 and O2, as well as the related reactions using visible light-responsive photocatalysts under sunlight irradiation, has been intensively investigated as one of the most promising environmentally benign energy production systems to address these issues. In the past half century, research on various photocatalytic systems using metal oxides has been carried out. However, to achieve higher efficiency in the production of H2, more innovative breakthroughs in the development of photocatalytic materials are strongly desired.To address such issues, graphitic carbon nitride (g-C3N4) and hexagonal boron carbon nitride (BCN) nano-materials have been investigated as promising visible light-responsive photocatalytic materials. In this chapter, we have highlighted the development of such g-C3N4 and hexagonal BCN photocatalytic nano-materials, focusing on their design, construction and optimization, as well as their applications to environmentally benign solar energy conversion systems, for the decomposition of H2O, reduction and fixation of CO2, and organic redox reactions. Such visible light-responsive photocatalytic materials are considered to be the most important research for the development of safe and clean energy production technologies for the 21st century and beyond.
       
  • Chapter One - Defect Engineering of Photosensitive Oxide Materials.
           Example of TiO2 Solid Solutions
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 72Author(s): Armand J. Atanacio, Tadeusz Bak, Kazi A. Rahman, Janusz Nowotny The imperative to protect the environment from increasingly apparent climate change imposes the urgent need to reduce the emissions of greenhouse gases to the atmosphere. This, consequently, results in intensification of research in the development of new materials and devices for the generation of energy that is environmentally clean. This work considers photosensitive oxide semiconductors for solar energy conversion by light-induced water oxidation. It has been documented that the performance of oxide semiconductors for solar-to-chemical energy conversion is determined by a range of defect-related properties, including the concentration of surface active sites, Fermi level, charge transport, electronic structure, and alignment of band edges with the energy level of the redox couple. The present work considers the research strategy in processing TiO2-based semiconductors, which are the promising candidates for a new generation of solar materials. It is shown that the performance-related properties of TiO2 and its solid solutions are determined by surface versus bulk defect disorder and the associated semiconducting properties. Therefore, the development of TiO2-based materials with enhanced performance could be based on using defect engineering for imposing optimized bulk versus surface properties. In this work, we discuss a range of defect-related properties of TiO2 and its solid solutions, such as electrical and optical properties and the related photocatalytic performance. We show that the phenomenon of segregation may be used as the technology for imposition of controlled surface versus bulk defect disorder that is required for processing the systems with optimized properties.
       
  • Advisory Board
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 72Author(s):
       
  • Chapter Nine - Mechanochemical Reactions of Metal-Organic Frameworks
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 71Author(s): Yu-Run Miao, Kenneth S. Suslick Metal-organic framework solids (MOFs) are synthetic porous materials that have drawn intense efforts in their synthesis and many of their chemical properties, most notably their use for the sorption of gases and vapors. The mechanical properties and mechanochemistry of MOFs, which we review in this chapter, have been only partially explored. MOFs can undergo both reversible, elastic deformations, and irreversible plastic deformations, some of which have associated mechanochemical reactions. During elastic deformation, MOFs undergo reversible structural or phase transitions. Plastic deformation of MOFs, on the other hand, can cause significant, permanent modification of the crystal structure, change in pore dimensions and configuration, and alteration of chemical bonding, all of which in turn affect their gas adsorption behavior. The large energies required to induce bond rearrangement during plastic deformation suggests an interesting potential of MOFs for shock wave mitigation applications.
       
  • Chapter Eight - Arene Ruthenium Complexes in Supramolecular Chemistry
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 71Author(s): Bruno Therrien For many years, the use of arene ruthenium complexes in catalysis and bioinorganic chemistry has showed great promises due to their chemical properties, but opportunities remain in supramolecular chemistry where arene ruthenium units are still poorly exploited. The strength of coordination bonds offers limitless possibilities in the field of supramolecular chemistry. The choice of the ligand can fine-tune the stability of the complex, thus setting up its application. Robust complexes are required for repetitive processes (catalysis, sensing, host–guest chemistry), or when the initial complex needs to be recovered or reused. However, for a single or highly specific task (drug delivery, bioimaging, metal-based drug) decomplexation (decomposition) can also be acceptable and even beneficial. In this chapter, all kinds of systems involving arene ruthenium complexes are discussed and illustrated with selected examples. The purpose of this chapter is not to provide a comprehensive review showing all arene ruthenium complexes that can be found in the literature, but mostly to highlight some of the new directions followed by these versatile complexes in supramolecular chemistry.
       
  • Chapter Seven - Anion and Cation Complexes of Expanded Porphyrins
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 71Author(s): Gabriela I. Vargas-Zúñiga, Jonathan L. Sessler The successful isolation of fully conjugated polypyrrolic macrocycles with peripheries containing more than 18 π-electrons led to a new class of azaannulenes. These systems, referred to as expanded porphyrins, have been found to possess unexpected electronic features, display multiple redox states, and display dynamic aromaticity and antiaromaticity characteristics, as well as interesting reactivity. The large cavities found in many expanded porphyrins have made them excellent systems for both metal cation coordination and anion binding. Often, they display recognition chemistry that differs dramatic from their smaller porphyrin congeners. This has made expanded porphyrins of both academic interest and potential utility in the development of more efficient extractants, sensors, and smart electronic devices. Here, the cation complexation chemistry of representative expanded porphyrins containing more than four pyrrole (or pyrrole-like) subunits is presented. Also reviewed are the anion binding properties of several well-studied protonated oligopyrrolic macrocycles.
       
  • Chapter Six - Merging Metal–Nucleobase Chemistry With Supramolecular
           Chemistry
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 71Author(s): Bernhard Lippert, Pablo J. Sanz Miguel Nucleobases, the constituents of nucleic acids, represent excellent building blocks for supramolecular constructs because they combine several essential properties responsible for the generation of supramolecules, namely, the abilities for hydrogen bond formation, for π–π stacking, and for metal coordination. Biologically relevant in several instances, these features allow for mutual molecular recognition, binding of anions and cations, as well as pH-dependent movements of entities, among others. At the same time, artificial analogues of naturally occurring supramolecular features in nucleic acids can be synthesized which are based on principles well established in coordination chemistry. This chapter reviews mainly work involving heavier transition metal ions, in particular, but not exclusively, PtII and PdII.
       
  • Chapter Five - Metallosupramolecular Complexes Based on
           Pyrogallol[4]arenes
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 71Author(s): Chen Zhang, Rahul S. Patil, Jerry L. Atwood Novel metal-organic nanocapsules have shown great potential in various applications ranging from drug delivery, sensing, gas adsorption/separation, and catalysis. Herein, we provide a brief introduction of pyrogallol[4]arene-based dimeric (M7L2 and M8L2) and hexameric (M12L6 and M24L6) metal-organic nanocapsules. In addition, hierarchical assemblies using dimeric/hexameric nanocapsules as building blocks are introduced. The strategies of direct linking, addition of a bridging linker, and dual function of C-propan-3-ol-pyrogallol[4]arene have been employed to connect these nanocapsules into supramolecular superstructures. In addition, the solution-phase studies of metallopyrogallol[4]arene complexes showing solution-phase stability, rearrangement of nanoassemblies, and magnetic behavior of these nanocapsules are presented.
       
  • Chapter Three - From Self-Sorting of Dynamic Metal–Ligand Motifs to
           (Supra)Molecular Machinery in Action
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 71Author(s): Michael Schmittel, Suchismita Saha Whereas self-assembly occurs from a single set of components, self-sorting arises from intricate multicomponent mixtures. The present account describes the utility of properly designed metal–ligand-binding motifs to furnish self-sorted mononuclear heteroleptic complexes, their sophisticated use in multicomponent supramolecular assemblies and devices and finally even the cutting-edge self-sorting of multidevice machinery in action.
       
  • Chapter Two - A Journey From Solution Self-Assembly to Designed
           Interfacial Assembly
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 71Author(s): Edwin C. Constable This chapter describes the development of concepts in metallosupramolecular chemistry. In particular, the transfer of the concepts from solution phase to metallosupramolecular chemistry at solid–fluid interfaces is discussed. The concept of metal-binding domains is quantified and used for the design of ligands for specific supramolecular applications. The use of weak interactions for the investigation of surface supramolecular chemistry is presented followed by the "surfaces as ligands, surfaces as complexes" approach for the design of functional devices. This conceptual development is placed in the context of the author's own laboratory.
       
  • Chapter One - From Coordination Chemistry to Adaptive Chemistry
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 71Author(s): Jean-François Ayme, Jean-Marie Lehn The object of chemistry has steadily evolved from discrete molecules to discrete numbers of assembled molecules and finally to networks of constitutional dynamic molecules, introducing the notion of adaptive chemistry. Inorganic coordination chemistry has been at the heart of this evolution with the metamorphosis of metal cations from coordination centers to templates to effectors. This chapter retraces 25 years of advances in metallosupramolecular chemistry by covering the birth and evolution of emblematic concepts such as the concepts of self-organization, self-sorting, constitutional dynamic chemistry, adaptive chemistry, and constitutional dynamic network. Additionally, some key metallosupramolecular structures such as helicates and grids like complexes, cages, and dynamers will be discussed alongside the implementation of motional dynamics in metallosupramolecular chemistry.
       
  • Series Page
    • Abstract: Publication date: 2018Source: Advances in Inorganic Chemistry, Volume 71Author(s):
       
 
 
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