4.7 Article

Dimethyl sulfoxide heavily extends homogeneous regions of the Propionitrile/DMSO/Water mixtures

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Mutual miscibility of diethyl sulfoxide and acetonitrile: Fundamental origin

Vitaly V. Chaban et al.

Summary: In this study, the global- and local-minimum molecular configurations of DESO/ACN mixtures were investigated using comprehensive electronic-structure modeling. The results provide a clear understanding of the origin of miscibility between DESO and ACN, and unambiguously rationalize the previously reported experimental results.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Chemistry, Physical

Mixtures of Diethyl Sulfoxide and Methanol: Structure and Thermodynamics

Vitaly V. Chaban et al.

Summary: This study confirms and rationalizes the excellent miscibility of diethyl sulfoxide (DESO) with methanol (MeOH) by investigating their potential energy surfaces. The formation of a strong hydrogen bond between the oxygen atom of DESO and the polarized hydrogen atom of MeOH is identified, explaining the negative deviations in the DESO-MeOH mixtures and providing precise interpretation of experimental observations.

JOURNAL OF SOLUTION CHEMISTRY (2022)

Article Chemistry, Physical

Diethyl sulfoxide as a novel neutral ligand in the platinum complex compound

Vitaly V. Chaban

Summary: This study explains the synthetic achievement of the tetraethylammonium diethylsulfoxidopentachloroplatinate complex using computational methods. It shows that only up to two DESO molecules can exist in the complex and higher contents of DESO are thermodynamically unstable. The structural analysis reveals the strong cation-anion coordination and the explanation for the high melting point. These results are expected to encourage experimental efforts to explore senior sulfoxides as neutral organic ligands in d-metal complexes.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2022)

Article Chemistry, Physical

Volumetric Properties of Butyronitrile-Dimethylsulfoxide and Butyronitrile-Diethylsulfoxide Binary Mixtures

H. H. Ghazoyan et al.

Summary: The densities of binary mixtures of butyronitrile with dimethylsulfoxide and diethylsulfoxide were measured across a range of concentrations and temperatures. Volumetric parameters and the standard deviations of excess molar volumes were calculated to explain the deviation of these solutions from ideal behavior. The deviations were attributed to competing homo- and hetero-molecular interactions, as well as the influence of the length of the hydrocarbon chain of sulfoxides on volumetric parameters.

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A (2021)

Article Chemistry, Physical

Force field development and simulations of senior dialkyl sulfoxides

Vitaly V. Chaban

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

Annealing relaxation of ultrasmall gold nanostructures

Vitaly Chaban

CHEMICAL PHYSICS LETTERS (2015)

Article Chemistry, Physical

Solvation of lithium ion in dimethoxyethane and propylene carbonate

Vitaly Chaban

CHEMICAL PHYSICS LETTERS (2015)

Article Chemistry, Physical

Hydrogen fluoride capture by imidazolium acetate ionic liquid

Vitaly Chaban

CHEMICAL PHYSICS LETTERS (2015)

Article Biochemistry & Molecular Biology

Solvation of the fluorine containing anions and their lithium salts in propylene carbonate and dimethoxyethane

Vitaly Chaban

JOURNAL OF MOLECULAR MODELING (2015)

Article Chemistry, Physical

Hydration of Proteins: Excess Partial Volumes of Water and Proteins

Vladimir A. Sirotkin et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

Article Chemistry, Physical

Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation

Roberto Peverati et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)

Article Chemistry, Physical

Filling carbon nanotubes with liquid acetonitrile

Vitaly Chaban

CHEMICAL PHYSICS LETTERS (2010)

Article Chemistry, Physical

Should carbon nanotubes be degasified before filling?

Vitaly Chaban

CHEMICAL PHYSICS LETTERS (2010)

Article Chemistry, Physical

Volume Changes Associated with Guanidine Hydrochloride, Temperature, and Ethanol Induced Unfolding of Lysozyme

Vladimir A. Sirotkin et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

Article Thermodynamics

Density and Viscosity of Anhydrous Mixtures of Dimethylsulfoxide with Acetonitrile in the Range (298.15 to 318.15) K

Maria del Carmen Grande et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2009)

Article Biochemistry & Molecular Biology

Application of the PM6 method to modeling proteins

James J. P. Stewart

JOURNAL OF MOLECULAR MODELING (2009)

Article Biochemistry & Molecular Biology

Application of the PM6 method to modeling the solid state

James J. P. Stewart

JOURNAL OF MOLECULAR MODELING (2008)

Article Chemistry, Multidisciplinary

Uniform diffusion of acetonitrile inside carbon nanotubes favors supercapacitor performance

Oleg N. Kalugin et al.

NANO LETTERS (2008)

Article Neurosciences

Toxicity and behavioral effects of dimethylsulfoxide in planaria

One R. Pagan et al.

NEUROSCIENCE LETTERS (2006)

Article Thermodynamics

Volumetric properties of aqueous solutions of diethylsulfoxide at temperatures from 298.15 K to 343.15 K

SA Markarian et al.

JOURNAL OF CHEMICAL THERMODYNAMICS (2005)

Article Spectroscopy

Vibrational spectra of diethylsulfoxide

SA Markarian et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2003)