Subjects -> CHEMISTRY (Total: 928 journals)
    - ANALYTICAL CHEMISTRY (59 journals)
    - CHEMISTRY (661 journals)
    - CRYSTALLOGRAPHY (23 journals)
    - ELECTROCHEMISTRY (28 journals)
    - INORGANIC CHEMISTRY (45 journals)
    - ORGANIC CHEMISTRY (47 journals)
    - PHYSICAL CHEMISTRY (65 journals)

CHEMISTRY (661 journals)            First | 1 2 3 4     

Showing 601 - 735 of 735 Journals sorted alphabetically
Russian Journal of Bioorganic Chemistry     Hybrid Journal   (Followers: 1)
Russian Journal of Coordination Chemistry     Hybrid Journal   (Followers: 1)
Russian Journal of General Chemistry     Hybrid Journal   (Followers: 1)
Russian Journal of Inorganic Chemistry     Hybrid Journal  
Sainstek : Jurnal Sains dan Teknologi     Open Access  
Science China Chemistry     Hybrid Journal   (Followers: 2)
Science Talks     Full-text available via subscription   (Followers: 4)
Sciences & Technologie A : sciences exactes     Open Access  
Scientific Journal of Frontier Chemical Development     Open Access   (Followers: 2)
Scientific Reports     Open Access   (Followers: 82)
Sensors and Actuators B: Chemical     Hybrid Journal   (Followers: 17)
Sensors and Actuators Reports     Open Access   (Followers: 6)
Separation & Purification Reviews     Hybrid Journal   (Followers: 3)
Separation Science and Technology     Hybrid Journal   (Followers: 7)
Separations     Open Access   (Followers: 5)
Silicon Chemistry     Hybrid Journal   (Followers: 1)
Small Methods     Hybrid Journal   (Followers: 1)
Small Science     Open Access   (Followers: 5)
Small Structures     Hybrid Journal   (Followers: 2)
Smart Materials Research     Open Access   (Followers: 7)
SmartMat     Open Access   (Followers: 1)
Soft     Open Access  
Soft Nanoscience Letters     Open Access   (Followers: 1)
Solar RRL     Hybrid Journal  
Solid State Communications     Hybrid Journal   (Followers: 7)
Solid State Nuclear Magnetic Resonance     Hybrid Journal   (Followers: 3)
Solid State Sciences     Hybrid Journal   (Followers: 7)
Solvent Extraction and Ion Exchange     Hybrid Journal   (Followers: 7)
SPE Polymers     Open Access   (Followers: 1)
Spectral Analysis Review     Open Access  
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy     Hybrid Journal   (Followers: 14)
Spectrochimica Acta Part B: Atomic Spectroscopy     Hybrid Journal   (Followers: 16)
Spectroscopy and Spectral Analysis     Full-text available via subscription   (Followers: 1)
Starch / Staerke     Hybrid Journal   (Followers: 2)
Steel Research International     Hybrid Journal   (Followers: 23)
Structural Chemistry     Hybrid Journal   (Followers: 1)
Substantia     Open Access  
Supramolecular Chemistry     Hybrid Journal   (Followers: 5)
Supramolecular Materials     Full-text available via subscription   (Followers: 8)
Surface and Coatings Technology     Hybrid Journal   (Followers: 32)
Surface Science     Hybrid Journal   (Followers: 21)
Surface Science Reports     Full-text available via subscription   (Followers: 13)
Surfaces     Open Access   (Followers: 2)
Surfaces and Interfaces     Hybrid Journal   (Followers: 1)
Sustainable Chemical Processes     Open Access   (Followers: 4)
Sustainable Chemistry and Pharmacy     Full-text available via subscription   (Followers: 1)
Synfacts     Hybrid Journal   (Followers: 5)
Synlett     Hybrid Journal   (Followers: 43)
Synthesis     Hybrid Journal   (Followers: 51)
Talanta     Hybrid Journal   (Followers: 9)
Talanta Open     Full-text available via subscription   (Followers: 4)
Tecnología Química     Open Access  
Telematics and Informatics Reports     Full-text available via subscription   (Followers: 3)
Tenside Surfactants Detergents     Full-text available via subscription   (Followers: 1)
Tetrahedron     Hybrid Journal   (Followers: 85)
Tetrahedron Chem     Full-text available via subscription   (Followers: 2)
Tetrahedron Letters     Hybrid Journal   (Followers: 89)
The Alkaloids: Chemistry and Biology     Full-text available via subscription   (Followers: 1)
The All Results Journals : Chem     Open Access   (Followers: 1)
The Canadian Journal of Chemical Engineering     Hybrid Journal   (Followers: 5)
The Enzymes     Full-text available via subscription   (Followers: 1)
The Protein Journal     Hybrid Journal   (Followers: 2)
Theoretical and Experimental Chemistry     Hybrid Journal  
Theoretical Chemistry Accounts     Hybrid Journal   (Followers: 6)
Thermochimica Acta     Hybrid Journal   (Followers: 18)
Tip Revista Especializada en Ciencias Quimico-Biologicas     Open Access  
Topics in Current Chemistry     Hybrid Journal  
Toxicology International     Full-text available via subscription   (Followers: 4)
Toxicology Research     Partially Free   (Followers: 8)
Transition Metal Chemistry     Hybrid Journal   (Followers: 6)
Trends in Chemistry     Hybrid Journal   (Followers: 2)
Turkish Computational and Theoretical Chemistry     Open Access  
Ultrasonics Sonochemistry     Hybrid Journal   (Followers: 2)
Universal Journal of Chemistry     Open Access   (Followers: 1)
Vietnam Journal of Chemistry     Hybrid Journal  
Western Undergraduate Research Journal : Health and Natural Sciences     Open Access  
Wiley Interdisciplinary Reviews : Computational Molecular Science     Hybrid Journal   (Followers: 5)
World Journal of Chemical Education     Open Access   (Followers: 2)
X-Ray Spectrometry     Hybrid Journal   (Followers: 4)

  First | 1 2 3 4     

Similar Journals
Journal Cover
Russian Journal of Inorganic Chemistry
Journal Prestige (SJR): 0.325
Citation Impact (citeScore): 1
Number of Followers: 0  
 
  Hybrid Journal Hybrid journal (It can contain Open Access articles)
ISSN (Print) 1531-8613 - ISSN (Online) 0036-0236
Published by Springer-Verlag Homepage  [2468 journals]
  • Study of Hydrophilic/Hydrophobic Properties of Borylated Iminols [BnHn –
           1NHC(OH)R]– (n = 10, 12)

    • Free pre-print version: Loading...

      Abstract: The behavior of borylated iminols based on the closo-decaborate and closo-dodecaborate anions in the dichloromethane–water system has been studied as a function of the pH of the aqueous phase. The distribution coefficients of compounds in the n-octanol–water system have been determined: for (Bu4N)[B12H11NHC(OH)CH3], log Kow = –0.46; for (Bu4N)[2-B10H9NHC(OH)CH3], log Kow = –0.51. These compounds show hydrophilic properties similar to those of formic and acetic acids. It has been shown that this method can be used to purify target compounds from hydrolysis products in the preparation of various derivatives as a result of nucleophilic addition of the closo-borate anions to nitrilium derivatives.
      PubDate: 2023-10-30
       
  • Antioxidant Activity of Conjugates of Cerium Dioxide Nanoparticles with
           Human Serum Albumin Isolated from Biological Fluids

    • Free pre-print version: Loading...

      Abstract: For the first time, an analysis was made of the antioxidant properties of conjugates of CeO2 nanoparticles with human serum albumin (CeO2@HSA), including HSA isolated from blood plasma and biological fluids similar in composition to blood plasma, namely, peritoneal (ascitic) and synovial (articular) fluids. The antioxidant activity of hybrid nanomaterials was studied in relation to alkylperoxyl radicals by luminol-dependent chemiluminescence. It was shown that the interaction of CeO2 nanoparticles with purified human serum albumin is accompanied by a decrease in the antioxidant and prooxidant potential of albumin by a factor of ⁓1.5. Presumably, this is caused by the interaction of nanodispersed CeO2 with sulfhydryl groups of the protein. Conjugates of CeO2 nanoparticles with albumin isolated from biological fluids (CeO2@HSA) exhibit a synergistic antioxidant effect. In this case, the mechanism of antioxidant activity is fundamentally different from that for CeO2 sols modified with purified human serum albumin. According to quantitative assessment, the antioxidant capacity of CeO2@HSA conjugates is ⁓20 times lower than that of Trolox, a water-soluble analog of vitamin E.
      PubDate: 2023-10-30
       
  • On the Interaction of Gold(III) Complexes with Human Serum Albumin

    • Free pre-print version: Loading...

      Abstract: The interaction of gold(III) complexes (Au(bipy) \({\text{(OH}})_{2}^{ + }\) , Au(phen) \({\text{(OH}})_{2}^{ + }\) , and Au(dien-H)Cl+) with human serum albumin (HSA) was studied in aqueous solutions (pH 7.4, CNaCl = 0.2 M, CAu = (2–10) × 10–5 M, CHSA < 6 × 10–4 M) at 25°C. In all cases, gold(III) is reduced to gold(I), which forms a complex with HSA. When an excess of HSA is present, the time required for complete transformation of the complexes does not exceed 1 h. In addition, it was shown that the redox reaction of gold(III) complexes with cysteine is much faster than the reaction with methionine.
      PubDate: 2023-10-30
       
  • Hydrochlorides and Dodecahydro-closo-dodecaborates of Amino Derivatives of
           1,3,5-Triazine in the Technology of Isolation and Purification of the
           [B12H12]2– Anion

    • Free pre-print version: Loading...

      Abstract: The possibility of using salts of 2,4,6-triamine-1,3,5-triazine, 2,4-diamine-6-methyl-1,3,5-triazine, and 2,4-diamine-6-phenyl-1,3,5-triazine for isolation of the dodecahydro-closo-dodecaborate anion [B12H12]2– from aqueous solutions has been studied. Compound [2,4-(NH2)2-6-Ph-1,3,5-N3С3H]2[B12H12]⋅H2O (solubility 0.06 g in 100 g water at 17°C), promising for the precipitation of the [B12H12]2– anion, has been isolated by the metathesis reaction of moderately soluble hydrochloride [2,4-(NH2)2-6-Ph-1,3,5-N3С3H]Cl⋅H2O with sodium and potassium dodecahydro-closo-dodecaborates. A procedure has been developed for the decomposition of [2,4-(NH2)2-6-Ph-1,3,5-N3С3H]2[B12H12]⋅H2O with ammonium hydroxide to obtain soluble salts of the [B12H12]2– anion.
      PubDate: 2023-10-30
       
  • Nucleophilic Addition of Aliphatic Diamines NH2(CH2)nNH2 (n = 6, 9) to
           Nitrilium Derivatives of the closo-Decaborate Anion [2-B10H9NCR]– (R =
           CH3, C2H5, nC3H7)

    • Free pre-print version: Loading...

      Abstract: The reaction of a number of nitrilium derivatives of the closo-decaborate anion with hexamethylene- and nonamethylenediamine has been studied. It has been shown that the process proceeds with the functionalization of both amino groups of the nucleophile to form amidines of the type (Bu4N)2[B10H9NH=C(R)NH (CH2)nNH(R)C=NHB10H9] (R = CH3, C2H5, nC3H7; n = 6, 9). Target compounds have been characterized by high resolution multinuclear NMR and ESI mass spectrometry.
      PubDate: 2023-10-30
       
  • Enthalpy of Formation of Gaseous Nitryl Fluoride FNO2

    • Free pre-print version: Loading...

      Abstract: Contradictory literature data on thermal stability, some methods of synthesis, and thermodynamic characteristics of nitryl fluoride have been considered and analyzed. Reliable estimates of reaction enthalpies have been obtained: 2FNO2 = 2FNO + O2, ΔrH°(0) ≥ 173.5, NO2 + 2CoF3(c) = FNO2 + Co2F5(c), ΔrH°(0) = –7.4; 3/2N2O4 + NaF(c) = FNO2 + NO + NaNO3(c), ΔrH°(0) = 11.3 kJ/mol. A new value of the enthalpy of formation of nitryl fluoride ΔfH°(FNO2(g), 0) = –161 ± 15 kJ/mol has been recommended. For the interaction of FNO2 with V2O5(c) as an example, the impossibility of formation of crystalline vanadium pentafluoride has been demonstrated.
      PubDate: 2023-10-30
       
  • Electron Transport in Perovskite-Type Ca0.5 – xSr0.5LuxMnO3 –
           δ Manganites

    • Free pre-print version: Loading...

      Abstract: Perovskite-type Ca0.5 – xSr0.5LuxMnO3 – δ (x = 0.05, 0.10, 0.15, and 0.20) manganites have been prepared in air using a citrate–nitrate process for preparing precursors. At room temperature, the x = 0.05, 0.10, and 0.15 samples have an orthorhombic structure (space group Pbnm); when x = 0.2, a tetragonal structure (space group I4/mcm) is formed. The increase in unit cell volume in response to rising lutetium concentration in the samples is due to an increase in Mn3+ concentration necessary to ensure n-type electrical conductivity σ. The temperature-activated electrical conductivity is consistent with the adiabatic transport mechanism of small polarons. The increase in magnitude of the Seebeck coefficient S in response to rising temperature is due to the decrease in the concentration of Mn3+ ions via their disproportionation to Mn2+ and Mn4+ ions. The S(T) and σ(T) temperature dependences under the condition where δ ⁓ 0 have been used to calculate the equilibrium constants of the disproportionation reaction, charge carrier concentrations and mobilities.
      PubDate: 2023-10-30
       
  • Sodium Chromium Arsenate Phosphates: Preparation, Structure, and Thermal
           Properties

    • Free pre-print version: Loading...

      Abstract: Arsenate phosphates \({\text{N}}{{{\text{a}}}_{3}}{\text{C}}{{{\text{r}}}_{2}}{{({\text{As}}{{{\text{O}}}_{4}})}_{x}}{{({\text{P}}{{{\text{O}}}_{4}})}_{{3\,\, - \,\,x}}}\) (1.75 ≤ x ≤ 3.0) were prepared by coprecipitation. Their unit cell parameter was a linear function of composition: a (Å) = 0.0967x + 11.873. The Na3Cr2(AsO4)2PO4 crystal structure was refined by the Rietveld method; the coordinates of basal atoms and bond lengths were calculated. A garnet solid solution crystallizes at 600–650°C; transition to a high−temperature rhombohedral structure occurred at 994–1044°C. The thermal expansion of the low-temperature phase having a garnet structure was studied in the range from –130 to 200°C. The solid solution samples expanded isotropically and had small thermal expansion.
      PubDate: 2023-10-30
       
  • Synthesis of Boron Nitride by Reduction of Boron Oxide with Aluminum in
           Nitrogen

    • Free pre-print version: Loading...

      Abstract: The paper presents the results of studies of the self-propagating high temperature synthesis (SHS) of boron nitride via chemical reduction of boron oxide with aluminum in a nitrogen medium. The phase composition of the powder reaction products depending on the nitrogen pressure during the synthesis was studied by X-ray diffraction. It was found that SHS in the B2O3–Al system gives the BN–Al2O3 powder material containing 20–28 wt % hexagonal boron nitride depending on the nitrogen pressure. Microstructure examination showed that the obtained powder materials contains separate hexagonal BN particles with <3 μm size. The differences in the density and morphology of BN and Al2O3 determine the possibility of BN isolation from the obtained powder mixture by the pneumatic powder separation methods.
      PubDate: 2023-10-30
       
  • Spin Selectivity of the Conductivity of Gold Nanotubes according to the
           Cylindrical Wave Method Data

    • Free pre-print version: Loading...

      Abstract: The band structures of two series of chiral single-walled gold nanotubes (5, n2) and (10, n2) have been calculated using the cylindrical wave method with inclusion of spin–orbit coupling. Compounds with high spin polarizability of the electronic structure and spin selectivity of conductivity have been revealed. They can be used as materials for design of molecular spintronics elements.
      PubDate: 2023-10-30
       
  • Synthesis and Physicochemical Properties of Yttrium Subgroup REE Lactates
           Ln(C3H5O3)3·2H2O (Ln = Y, Tb–Lu)

    • Free pre-print version: Loading...

      Abstract: A series of yttrium subgroup rare earth elements (REE) lactates of [Ln(C3H5O3)3(H2O)2] (Ln = Tb–Lu) composition isostructural to yttrium lactate has been prepared for the first time. Synthesis of crystalline REE lactates has been performed from solutions of REE nitrates in the presence of L-lactic acid and hexamethylenetetramine. The composition and structure of the obtained compounds have been confirmed by X-ray powder diffraction, thermal, and chemical (CHN) analysis. The coordination type of lactate anions to REE cations has been determined by IR spectroscopy. Thermal decomposition of REE lactates at 800°C leads to formation of nanocrystalline (20–40 nm) REE (Y, Tb–Lu) oxides.
      PubDate: 2023-10-30
       
  • Isomeric Molecular Forms of Pseudo-Binuclear Bismuth(III) Dithiocarbamate
           [Bi2{S2CN(CH2)6}6]: Preparation, Thermal Behavior, and Structural Effect
           of Its Solvation with DMSO, [Bi2{S2CN(CH2)6}6]⋅2(CH3)2SO

    • Free pre-print version: Loading...

      Abstract: Bismuth(III) hexamethylenedithiocarbamate (HmDtc) [Bi2{S2CN(CH2)6}6] (I) and its solvated with dimethyl sulfoxide form [Bi2(S2CNHm)6]⋅2(CH3)2SO (II) have been obtained. The crystal structure of compound I shows an unusual alternation of two unsymmetrical isomeric pseudo-binuclear [Bi1/1B(HmDtc)3···Bi1A/1C(HmDtc)3] molecules, each of which involves two non-equivalent mononuclear moieties combined by secondary Bi···S bonds. The solvation of complex I leads to the structural unification of isomeric [Bi(HmDtc)3] molecules followed by their self-organization into centrosymmetric pseudo-dimers in the structure of compound II. All HmDtc ligands coordinate in S,S'-anisobidentate mode to form four isomeric (in I) or structurally unique [Bi(HmDtc)3] molecules (in II), whose distorted polyhedra can be approximated by pentagonal pyramid or octahedron. Solvating DMSO molecules are retained in the structure II by C–H···O hydrogen bonds. The analysis of energy dispersive X-ray spectra allowed one to identify the residual matter obtained by thermolysis of the complexes as Bi2S3 with admixture of Bi0.
      PubDate: 2023-10-30
       
  • Transformations of Cerium Tetrafluoride Hydrate under Hydrothermal
           Conditions: A New Cerium Fluoride Hydrate Ce3F10·3H2O

    • Free pre-print version: Loading...

      Abstract: The behavior of cerium tetrafluoride hydrate was studied in water at a temperature of 80°C and under hydrothermal treatment at 100, 130, and 220°C for a day. The product of the hydrothermal treatment of CeF4·H2O at 100°C was investigated by chemical, thermogravimetric, IR spectroscopic, and X-ray powder diffraction analyses, which identified a new cerium fluoride with the composition, presumably, Ce3F10⋅3H2O or, most likely, (H3O)Ce3F10⋅2H2O. New compound crystallizes in the space group \(Fm\bar {3}m\) with a unit cell parameter of 11.66 Å. Hydrothermal treatment of cerium tetrafluoride hydrate at temperatures above 130°C leads to hydrolysis and reduction of cerium(IV) fluoride compounds to form CeO2 and CeF3.
      PubDate: 2023-10-30
       
  • Structure of the Local Environment and Hyperfine Interactions of 57Fe
           Probe Nuclei in AMnO3 (A = Sc, In)

    • Free pre-print version: Loading...

      Abstract: The results of a Mössbauer study of hyperfine interactions of 57Fe probe nuclei in isostructural hexagonal manganites h-ScMnO3 and h-InMnO3 are presented. The results of measurements of the Mössbauer spectra at T > TN, as well as calculations of the parameters of the electric field gradient tensor at 57Fe nuclei, demonstrated different behavior of the probe iron ions in these isostructural systems, reflecting the difference in the processes of defect formation in their crystal lattices. On the contrary, measurements at T < TN did not reveal any differences in the local magnetic structure of 57Fe probe atoms in these oxides.
      PubDate: 2023-10-30
       
  • Structure and Unusual Magnetic Properties of Mg-Containing Solid Solutions
           Based on Y2FeTaO7

    • Free pre-print version: Loading...

      Abstract: Mg-containing solid solutions based on Y2FeTaO7 and formed by various mechanisms of heterovalent substitution were synthesized and had the following compositions: Y2Fe0.55Mg0.3Ta1.15O7, Y2Fe0.625Mg0.3Ta1.075O7, Y2Fe0.7Mg0.3TaO7, Y2Fe0.7Mg0.2Ta1.1O7, Y2Fe0.85Mg0.15TaO7, Y1.85Mg0.15Fe0.925Ta1.075O7, and Y1.85Mg0.15FeTaO7. It was shown that all synthesized solid solutions have a pyrochlore-like layered structure (space group P3121), in which Fe3+ ions are distributed over three structural positions. The magnetic properties of these solid solutions are due to the presence of a small ferromagnetic component in a predominantly antiferromagnetic system and characterize a ferrimagnet or a canted antiferromagnet with the Néel transition at the Néel temperature TN above room temperature. According to the data of magnetic measurements, two magnetic phase transitions to the ordered phase occur in all the studied samples. Along with the TN transition, in weak magnetic fields and below TN, there is a second transition, which is most likely due to a spin reorientation of the Morin type. The existence of magnetic ordering at room temperature in one magnetic sublattice or an internal magnetic field (Hin) was confirmed by Mössbauer spectroscopy.
      PubDate: 2023-10-30
       
  • Thermal Stability of Complex Aluminates in the La2SrAl2O7–Ho2SrAl2O7
           System

    • Free pre-print version: Loading...

      Abstract: Continuous solid solutions of two-layer (La1 – xHox)2SrAl2O7 aluninates, which are Ruddlesden–Popper phases, have been found to exist in the La2SrAl2O7–Ho2SrAl2O7 system at temperatures above 1515°С. The (La1 – xHox)2SrAl2O7 complex aluminates crystallize in tetragonal crystal system (space group I4/mmm). A phase transformation scheme has been proposed for the La2SrAl2O7–Ho2SrAl2O7 system with the unlimited mutual solubility of the components at high temperatures and with a decomposition area below the critical temperature Тcr = 1515°С.
      PubDate: 2023-10-30
       
  • Thermophysical Properties of Neodymium and Gadolinium Zirconate Hafnates

    • Free pre-print version: Loading...

      Abstract: Pyrochlore-type neodymium and gadolinium zirconate hafnates have been prepared and identified. The heat capacities of the prepared samples have been measured by differential scanning calorimetry in the range 310–1800 K. Temperature-dependent cubic unit cell parameters have been determined and thermal expansion coefficients assessed in the range 298–1273 K using high-temperature X-ray diffraction. The thermal diffusivity of the samples was measured by the laser flash method, and the temperature-dependent thermal conductivity was calculated taking into account the porosity of the samples.
      PubDate: 2023-10-30
       
  • Investigation of the KNd(SO4)2·H2O–SrSO4·0.5H2O System

    • Free pre-print version: Loading...

      Abstract: The cocrystallization of potassium, neodymium, and strontium sulfates from aqueous solutions has been studied using X-ray powder diffraction, thermogravimetry, energy-dispersive X-ray spectral analysis, and electron microscopy. Extensive solid solutions based on trigonal KNd(SO4)2⋅H2O have been found to exist in the concentration range 100–20 mol % of the KNd(SO4)2⋅H2O–SrSO4⋅0.5H2O system. The unit cell parameters of the solid solutions have been determined. Two phases have been discovered: trigonal KNd(SO4)2⋅H2O (space group P3121) and monoclinic KNd(SO4)2⋅H2O (space group P21/c1). The heterovalent substitution scheme 2Sr2+ → K+ + Nd3+ stabilizes the structure of solid solutions based on the isostructural KNd(SO4)2⋅H2O and SrSO4⋅0.5H2O trigonal phases.
      PubDate: 2023-10-30
       
  • Features of Cadmium(II) Complexation with N-Donor Heterocyclic Ligands in
           the Presence of the Octadecahydroeicosaborate Anion

    • Free pre-print version: Loading...

      Abstract: The process of cadmium(II) complexation with 1-ethyl-2-(4-methoxyphenyl)azobenzimidazole (L1), 2,2′-bipyridyl (L2), and 1,10-phenanthroline (L3) in the presence of the [trans-B20H18]2– anion has been studied. It has been found that the nature of the organic ligand affects the composition and structures of the resulting compounds. Complexation with ligand L1, a benzimidazole derivative, has yielded binuclear complex [CdL12NO3(μ-NO3)CdL1(NO3)2] (1), which contains no boron cluster anion. In the case of azaheterocyclic ligands L2 and L3, depending on the Cd : L ratio, heteroleptic complexes [CdL2NO3]2[trans-B20H18] (L = L2 (2); L3 (3)) with coordinated nitrate ions (Cd : L = 1 : 2) or tris-chelate complexes [CdL3][trans-B20H18] (L = L2 (4); L3 (5)) with the boron cluster anion as a counterion (Cd : L = 1 : 3) have been isolated. The structures of complexes [CdL12NO3(μ-NO3)CdL1(NO3)2] (1) and [Cd(L2)2NO3]2[trans-B20H18] (2) have been determined by X-ray diffraction.
      PubDate: 2023-10-30
       
  • Nonempirical Modeling of Interactions of Fe2O2 and Fe2O4 Clusters with H2
           and O2 Molecules

    • Free pre-print version: Loading...

      Abstract: Quantum-chemical calculations of the geometric and electronic structures of compounds formed by the interaction of Fe2O2 and Fe2O4 clusters with diatomic H2 and O2 molecules in the gas phase have been performed by the density functional theory method in the generalized gradient approximation using the triple-zeta basis set. The trends in changes in the binding energy of H2 and O2 molecules with Fe2O2 and Fe2O4 clusters depending on the number of oxygen atoms have been found. It has been demonstrated that in two of the four reactions considered, the total spins of the initial reagents and final products do not coincide, that is, spin relaxation occurs. It has been concluded that nanoparticles based on Fe2O4 clusters can be used as sensors for detecting H2 and O2 molecules.
      PubDate: 2023-10-30
       
 
JournalTOCs
School of Mathematical and Computer Sciences
Heriot-Watt University
Edinburgh, EH14 4AS, UK
Email: journaltocs@hw.ac.uk
Tel: +00 44 (0)131 4513762
 


Your IP address: 44.220.249.141
 
Home (Search)
API
About JournalTOCs
News (blog, publications)
JournalTOCs on Twitter   JournalTOCs on Facebook

JournalTOCs © 2009-