TOPOLOGICAL FEATURES OF THE ELECTRON DENSITY DISTRIBUTION IN COVELLITE: POSITION Cu1.-Reference-Cited by-同舟云学术

TOPOLOGICAL FEATURES OF THE ELECTRON DENSITY DISTRIBUTION IN COVELLITE: POSITION Cu1.

Published:2018-08-05 Issue:5-6 Volume:20 Page:118-128
ISSN:1998-9903
Container-title:Proceedings of the higher educational institutions. ENERGY SECTOR PROBLEMS
language:
Short-container-title:«Izvestiya vysshikh uchebnykh zavedenii. PROBLEMY ENERGETIKI»

Author:

Pogoreltsev A. I.,Matukhin V. L.,Safonova O. A.,Sharipova A. R.,Islamova G. N.,Shmidt E. V.,Shulgin D. A.

Abstract

The synthesized sample of covellite was investigated by NQR 63,65Cu methods. The experimentally determined values of the quadrupole frequency νQ and the asymmetry parameter η have been used to study the distribution of electron density in the region of the quadrupole nuclei in position Cu1. It is found that Cu-S bond in position Cu1 is ionic, and the gap LUMO-HOMO decreases with increasing temperature.

Publisher

Kazan State Power Engineering University

Subject

Pharmacology (medical),Complementary and alternative medicine,Pharmaceutical Science

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