Consideration of electrochemical dimerization reactions in terms of the perturbation molecular orbital theory

Consideration of electrochemical dimerization reactions in terms of the perturbation molecular orbital theory Научная публикация

Журнал

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry
ISSN: 0022-0728 , E-ISSN: 2590-2954

Вых. Данные

Год: 1986, Том: 209, Номер: 1, Страницы: 43-56 Страниц : 14 DOI: 10.1016/0022-0728(86)80184-x

Авторы

Mendkovich A.S. ¹ , Rusakov A.I. ²

Организации

1	N. D. Zelinsky Institute of Organic Chemistry, U.S.S.R. Academy of Sciences, Moscow U.S.S.R.
2	Yaroslavl Polytechnical Institute, Yaroslavl U.S.S.R.

On the basis of the perturbation molecular orbital theory, an equation relating values of the dimerization rate constants (k) to the charges and electronic density at the reaction centre is proposed. The correlation relationship between the experimental k values for A∓− + A∓− and A∓− + A reactions of various compounds and the results of quantum-chemical calculations by the CNDO and INDO level methods were obtained. The correctness of the approximations made and the limits of applicability of the equation are considered.

Mendkovich A.S. , Rusakov A.I.
Consideration of electrochemical dimerization reactions in terms of the perturbation molecular orbital theory
Journal of Electroanalytical Chemistry and Interfacial Electrochemistry. 1986. V.209. N1. P.43-56. DOI: 10.1016/0022-0728(86)80184-x OpenAlex

OpenAlex:

W1585669567

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