Adducts of tetracoordinate cobalt(II) complexes and 1-(pyridin-2-yl)methanimine: Computational search for valence tautomeric systems
- Авторлар: Starikov A.1,2, Starikova A.2, Minkin V.1,2
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Мекемелер:
- Southern Scientific Center
- Institute of Physical and Organic Chemistry
- Шығарылым: Том 86, № 4 (2016)
- Беттер: 859-864
- Бөлім: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/214649
- DOI: https://doi.org/10.1134/S1070363216040174
- ID: 214649
Дәйексөз келтіру
Аннотация
A density functional theory method [B3LYP*/6-311++G(d,p)] was used to study mixed-ligand adducts of tetracoordinate cobalt(II) complexes and 1-(pyridin-2-yl)methanimines. Stability of the adducts with respect to dissociation into the initial components and the possibility of intramolecular electron transfer were explored. The calculated energy characteristics of the adduct of Co(II) bisacetylacetonate with a redox-active ligand functionalized by cyano groups suggest the possibility of valence tautomerism in this compound.
Авторлар туралы
A. Starikov
Southern Scientific Center; Institute of Physical and Organic Chemistry
Хат алмасуға жауапты Автор.
Email: andr@ipoc.sfedu.ru
Ресей, pr. Chekhova 41, Rostov-on-Don, 344006; Rostov-on-Don
A. Starikova
Institute of Physical and Organic Chemistry
Email: andr@ipoc.sfedu.ru
Ресей, Rostov-on-Don
V. Minkin
Southern Scientific Center; Institute of Physical and Organic Chemistry
Email: andr@ipoc.sfedu.ru
Ресей, pr. Chekhova 41, Rostov-on-Don, 344006; Rostov-on-Don