TOPOLOGICAL FEATURES OF THE ELECTRON DENSITY DISTRIBUTION IN COVELLITE: POSITION Cu1.
https://doi.org/10.30724/1998-9903-2018-20-5-6-118-128
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.
About the Authors
A. I. Pogoreltsev
Kazan State Power Engineering University.
Russian Federation
Russian Federation
Alexander I. Pogoreltsev ‒ Candidate of Physics and Mathematics, Associate Professor, Department of Physics.
Kazan.
V. L. Matukhin
Kazan State Power Engineering University.
Russian Federation
Russian Federation
Vadim L. Matukhin ‒ dr. Sci.(Phys.-Math.), head. Chair, Department of Physics.
Kazan.
O. A. Safonova
Kazan State Power Engineering University.
Russian Federation
Russian Federation
Olga A. Safonova ‒ student, department "Relay protection and automation of power systems".
Kazan.
A. R. Sharipova
Kazan State Power Engineering University.
Russian Federation
Russian Federation
Aliya R. Sharipova ‒ student, department "Relay protection and automation of electric power systems".
Kazan.
G. N. Islamova
Kazan State Power Engineering University.
Russian Federation
Russian Federation
Gulchachak N. Islamova ‒ student, department "Energy supply of enterprises and energy-saving technologies".
Kazan.
E. V. Shmidt
Kazan State Power Engineering University.
Russian Federation
Russian Federation
Ekaterina V . Shmidt ‒ Can. Sci. (Phys.-Math.), Associate Professor, Chair "Physics".
Kazan.
D. A. Shulgin
Education Kazan National Research Technical University named after A.N. Tupolev ‒ KAI.
Russian Federation
Russian Federation
Dmitry A. Shulgin ‒ Cand. Sci. (Phys.-Math.), Associate Professor, Scientific Consultant of the Center for Collective Use "Applied Nanotechnologies".
Kazan.
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Review
For citations:
Pogoreltsev A.I., Matukhin V.L., Safonova O.A., Sharipova A.R., Islamova G.N., Shmidt E.V., Shulgin D.A. TOPOLOGICAL FEATURES OF THE ELECTRON DENSITY DISTRIBUTION IN COVELLITE: POSITION Cu1. Power engineering: research, equipment, technology. 2018;20(5-6):118-128. (In Russ.) https://doi.org/10.30724/1998-9903-2018-20-5-6-118-128
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