电邮这篇文章 Quantum-Chemical Study of the Charge Transfer Mechanism in the MgTiF6–12MgCl2 System
- 作者: Kremenetsky V.1, Kuznetsov S.1
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隶属关系:
- Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials
- 期: 卷 2018, 编号 2 (2018)
- 页面: 118-122
- 栏目: Article
- URL: https://journals.rcsi.science/0036-0295/article/view/172247
- DOI: https://doi.org/10.1134/S0036029518020118
- ID: 172247
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详细
A quantum-chemical analysis of frontier molecular orbitals is used to propose a mechanism for the electrochemical electron transfer in the model system MgTiF6 + 12MgCl2. The geometric structure of the transient state is shown not to be intermediate between the initial and final states of the system. The contraction of the Ti–F bonds during totally symmetrical vibrations is found to be the most probable version providing electron transfer to the system.
作者简介
V. Kremenetsky
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials
编辑信件的主要联系方式.
Email: kreme_vg@chemy.kolasc.net.ru
俄罗斯联邦, Akademgorodok 26a, Apatity, Murmansk region, 184209
S. Kuznetsov
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials
Email: kreme_vg@chemy.kolasc.net.ru
俄罗斯联邦, Akademgorodok 26a, Apatity, Murmansk region, 184209
