Quantum-Chemical Study of Spin Transitions in Bimetallic Fe–M Complexes (M = Co, Ni, Cu, Zn) with the 1,10-Phenanthroline Linker
- 作者: Starikova A.1, Minkin V.1
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隶属关系:
- Institute of Physical and Organic Chemistry
- 期: 卷 482, 编号 1 (2018)
- 页面: 181-184
- 栏目: Chemistry
- URL: https://journals.rcsi.science/0012-5008/article/view/154277
- DOI: https://doi.org/10.1134/S0012500818090021
- ID: 154277
如何引用文章
详细
The structure, energies, and magnetic properties of electromeric forms of binuclear Fe–M complexes (M = Co, Ni, Cu, Zn) with a 1,10-phenanthroline-based linker have been studied by the DFT UB3LYP*/6-311++G(d,p) method. Studying the spin-state switching mechanisms has demonstrated that all the compounds under consideration are capable of undergoing spin crossover at the iron ion. In solutions of complexes with cobalt and nickel bis-chelates, a competing process accompanied by the change in magnetic characteristics—configurational isomerism—is possible.
作者简介
A. Starikova
Institute of Physical and Organic Chemistry
编辑信件的主要联系方式.
Email: alstar@ipoc.sfedu.ru
俄罗斯联邦, Rostov-on-Don, 344090
V. Minkin
Institute of Physical and Organic Chemistry
Email: alstar@ipoc.sfedu.ru
俄罗斯联邦, Rostov-on-Don, 344090