电邮这篇文章 Computational modeling of LD LISC and LIESST rearrangements of a Fe(II) complex with phenanthroline modified by photochromic chromene
- 作者: Starikova A.1, Steglenko D.1, Starikov A.1,2, Minkin V.1,2
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隶属关系:
- Institute of Physical and Organic Chemistry
- Southern Scientific Center
- 期: 卷 468, 编号 1 (2016)
- 页面: 152-155
- 栏目: Chemistry
- URL: https://journals.rcsi.science/0012-5008/article/view/153671
- DOI: https://doi.org/10.1134/S0012500816050037
- ID: 153671
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详细
Quantum-chemical study (B3LYP*/6-311++G(d,p)) has shown that the Fe(II) complex containing the phenanthroline ligand with annelated chromene and dihydrobis(pyrazol-1-yl)borate anions is able to exhibit thermally induced spin crossover. The calculations predict that the magnetic properties of this compound can be controlled by irradiation (LIESST and LD LISC effects).
作者简介
A. Starikova
Institute of Physical and Organic Chemistry
编辑信件的主要联系方式.
Email: andr@ipoc.sfedu.ru
俄罗斯联邦, pr. Stachki 194/2, Rostov-on-Don, 344090
D. Steglenko
Institute of Physical and Organic Chemistry
Email: andr@ipoc.sfedu.ru
俄罗斯联邦, pr. Stachki 194/2, Rostov-on-Don, 344090
A. Starikov
Institute of Physical and Organic Chemistry; Southern Scientific Center
Email: andr@ipoc.sfedu.ru
俄罗斯联邦, pr. Stachki 194/2, Rostov-on-Don, 344090; pr. Chekhova 41, Rostov-on-Don, 344006
V. Minkin
Institute of Physical and Organic Chemistry; Southern Scientific Center
Email: andr@ipoc.sfedu.ru
俄罗斯联邦, pr. Stachki 194/2, Rostov-on-Don, 344090; pr. Chekhova 41, Rostov-on-Don, 344006
