Quantum-Chemical Study of Spin Transitions in Bimetallic Fe–M Complexes (M = Co, Ni, Cu, Zn) with the 1,10-Phenanthroline Linker
- Авторлар: Starikova A.1, Minkin V.1
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Мекемелер:
- Institute of Physical and Organic Chemistry
- Шығарылым: Том 482, № 1 (2018)
- Беттер: 181-184
- Бөлім: Chemistry
- URL: https://journals.rcsi.science/0012-5008/article/view/154277
- DOI: https://doi.org/10.1134/S0012500818090021
- ID: 154277
Дәйексөз келтіру
Аннотация
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.
Авторлар туралы
A. Starikova
Institute of Physical and Organic Chemistry
Хат алмасуға жауапты Автор.
Email: alstar@ipoc.sfedu.ru
Ресей, Rostov-on-Don, 344090
V. Minkin
Institute of Physical and Organic Chemistry
Email: alstar@ipoc.sfedu.ru
Ресей, Rostov-on-Don, 344090