Отправить статью по E-mail Computational modeling of LD LISC and LIESST rearrangements of a Fe(II) complex with phenanthroline modified by photochromic chromene
- Авторы: Starikova A.1, Steglenko D.1, Starikov A.1,2, Minkin V.1,2
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Учреждения:
- Institute of Physical and Organic Chemistry
- Southern Scientific Center
- Выпуск: Том 468, № 1 (2016)
- Страницы: 152-155
- Раздел: Chemistry
- URL: https://journals.rcsi.science/0012-5008/article/view/153671
- DOI: https://doi.org/10.1134/S0012500816050037
- ID: 153671
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Аннотация
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).
Об авторах
A. Starikova
Institute of Physical and Organic Chemistry
Автор, ответственный за переписку.
Email: andr@ipoc.sfedu.ru
Россия, pr. Stachki 194/2, Rostov-on-Don, 344090
D. Steglenko
Institute of Physical and Organic Chemistry
Email: andr@ipoc.sfedu.ru
Россия, pr. Stachki 194/2, Rostov-on-Don, 344090
A. Starikov
Institute of Physical and Organic Chemistry; Southern Scientific Center
Email: andr@ipoc.sfedu.ru
Россия, 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
Россия, pr. Stachki 194/2, Rostov-on-Don, 344090; pr. Chekhova 41, Rostov-on-Don, 344006
