- PII
- 10.31857/S0132344X23700275-1
- DOI
- 10.31857/S0132344X23700275
- Publication type
- Status
- Published
- Authors
- Volume/ Edition
- Volume 49 / Issue number 8
- Pages
- 485-492
- Abstract
- (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.
- Keywords
- квантово-химическое моделирование молекулярные магнитные переключатели координационные соединения стереоизомеризация
- Date of publication
- 01.08.2023
- Year of publication
- 2023
- Number of purchasers
- 0
- Views
- 12
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