Adducts of tetracoordinate cobalt(II) complexes and 1-(pyridin-2-yl)methanimine: Computational search for valence tautomeric systems
- Autores: Starikov A.1,2, Starikova A.2, Minkin V.1,2
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Afiliações:
- Southern Scientific Center
- Institute of Physical and Organic Chemistry
- Edição: Volume 86, Nº 4 (2016)
- Páginas: 859-864
- Seção: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/214649
- DOI: https://doi.org/10.1134/S1070363216040174
- ID: 214649
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Resumo
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.
Sobre autores
A. Starikov
Southern Scientific Center; Institute of Physical and Organic Chemistry
Autor responsável pela correspondência
Email: andr@ipoc.sfedu.ru
Rússia, pr. Chekhova 41, Rostov-on-Don, 344006; Rostov-on-Don
A. Starikova
Institute of Physical and Organic Chemistry
Email: andr@ipoc.sfedu.ru
Rússia, Rostov-on-Don
V. Minkin
Southern Scientific Center; Institute of Physical and Organic Chemistry
Email: andr@ipoc.sfedu.ru
Rússia, pr. Chekhova 41, Rostov-on-Don, 344006; Rostov-on-Don