Molecular Switches of the LD-CISSS Type Based on Ni(II) Azomethine Bis-Chelate Complexes. Quantum Chemical Modeling

Мұқаба

Дәйексөз келтіру

Толық мәтін

Ашық рұқсат Ашық рұқсат
Рұқсат жабық Рұқсат берілді
Рұқсат жабық Тек жазылушылар үшін

Аннотация

(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.

Авторлар туралы

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

Хат алмасуға жауапты Автор.
Email: nkharabaev@mail.ru
Россия, Ростов-на-Дону

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© Н.Н. Харабаев, А.Г. Стариков, В.И. Минкин, 2023