电邮这篇文章 Molecular Switches of the LD-CISSS Type Based on Ni(II) Azomethine Bis-Chelate Complexes. Quantum Chemical Modeling
- 作者: Kharabayev N.N.1, Starikov A.G.1, Minkin V.I.1
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隶属关系:
- Research Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russia
- 期: 卷 49, 编号 8 (2023)
- 页面: 485-492
- 栏目: Articles
- URL: https://genescells.com/0132-344X/article/view/667490
- DOI: https://doi.org/10.31857/S0132344X23700275
- EDN: https://elibrary.ru/SARRHQ
- ID: 667490
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详细
(DFT/B3LYP/6-311++G(d,p)) calculations were performed to study Ni(II) azomethine bis-chelates with photoactive moieties (imidazole and benzimidazole derivatives of azo compounds, azomethines, and stilbenes) exhibiting the behavior of molecular magnetic switches by the light-driven coordination-induced spin state switching (LD-CISSS) mechanism. The structural and energy characteristics of the complexes favorable to or restricting the applicability of these complexes as molecular switches were determined.
作者简介
N. Kharabayev
Research Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russia
Email: nkharabaev@mail.ru
Россия, Ростов-на-Дону
A. Starikov
Research Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russia
Email: nkharabaev@mail.ru
Россия, Ростов-на-Дону
V. Minkin
Research Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russia
编辑信件的主要联系方式.
Email: nkharabaev@mail.ru
Россия, Ростов-на-Дону
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