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

A. Pogoreltsev, V. Matukhin, O. Safonova, A. Sharipova, G. N. Islamova, E. Shmidt, D. Shulgin
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引用次数: 0

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.
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钴岩中电子密度分布的拓扑特征:位置Cu1。
用NQR 63,65cu法对合成样品进行了表征。用实验测定的四极频率νQ和不对称参数η研究了Cu1位置四极核区域的电子密度分布。发现Cu1位置的Cu-S键为离子键,LUMO-HOMO的间隙随温度升高而减小。
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发文量
90
审稿时长
8 weeks
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