Electron polarizability of molecules of carboxylic acids and their dimers and trimers
Abstract
Components of the tensor of the electron polarizability of molecules of carboxylic acids and their dimers and trimers with conjugated chemical bonds are calculated according the Hartree-Fock method. The dependences of a change in the anisotropy of polarizability on the average polarizability of a molecule and the number of electrons in a conjugated system are determined. An increase in the anisotropy of electron polarizability during the formation of intermolecular associates through hydrogen bonds is observed.
- Publication:
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Russian Journal of Physical Chemistry A
- Pub Date:
- November 2017
- DOI:
- 10.1134/S0036024417110176
- Bibcode:
- 2017RJPCA..91.2268N
- Keywords:
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- hydrogen bonds;
- electron polarizability;
- conjugation of chemical bonds;
- increase in the anisotropy of polarizability