Molecular polarizability of organic compounds and their complexes: LIX. Molar volumes, intrinsic atomic solvation radii, and spatial structures of certain conformationally flexible compounds in solutions
Lebedinskii K.S.,Rostov State University of Railway Transportation |
Boiko M.V.,Rostov State University of Railway Transportation |
Shcherbakov I.N.,Rostov State University of Railway Transportation |
Lyashenko M.N.,Rostov State University of Railway Transportation |
Bulgarevich S.B.,Rostov State University of Railway Transportation
Russian Journal of General Chemistry | Year: 2013
The molar volumes and structures in individual liquids and solutions of a series of conformationally flexible compounds, such as alkanes and diaryl-substituted systems with sp 3-hybridized bridging atoms, were analyzed in terms of intrinsic solvation radii of atoms constituting the molecule. Intrinsic solvation atomic radii were determined for various molecules to show that they are larger than the van der Waals radii of the same atoms. An approach to parametrization of the intrinsic solvation radii of atoms constituting a molecule, using appropriate model compounds, was proposed. From the resulting values of intrinsic atomic solvation radii, the possible conformations of a series of diphenylmethanes, diphenylsilanes, diphenyl sulfides, diphenyl sulfoxides, and diphenyl sulfones in solutions were assessed. © 2013 Pleiades Publishing, Ltd.