THEORETICAL STUDY OF THE DIETHYLSULFOXIDE–WATER MOLECULAR COMPLEXES

Authors

  • A. I. Zatikyan Chair of Physical and Colloids Chemistry, YSU, Armenia

DOI:

https://doi.org/10.46991/PYSU:B/2006.40.3.058

Keywords:

quantum-chemical calculations, diethylsulfoxide, water solutions

Abstract

In this article theoretical studies of DESO–H2O molecular complexes by ab initio quantum-chemical calculation is presented. From the vibrational spectroscopic studies of diethylsulfoxide water solutions the possibility of formation of DES0–H2O(I) and DESO–H2O(II) complexes is developed. By ab inintio quantum-chemical calculations the existence of these complexes is confirmed. By means of Gaussian 98 computer program the structure, energetical features and theoretical vibrational frequencies of the complexes is calculated.

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Published

2006-10-27

How to Cite

Zatikyan, A. I. 2006. “THEORETICAL STUDY OF THE DIETHYLSULFOXIDE–WATER MOLECULAR COMPLEXES”. Proceedings of the YSU B: Chemical and Biological Sciences 40 (3 (211):58-61. https://doi.org/10.46991/PYSU:B/2006.40.3.058.

Issue

Vol. 40 No. 3 (211) (2006)

Section

Chemistry

License

Copyright (c) 2006 Proceedings of the YSU

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This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.