Quantum-Chemical Analysis of Acid-Base Properties of Metal Complexes of Azaporphyrins by the INDO Method Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 1989, Volume: 30, Pages: 189–194 Pages count : 6 DOI: 10.1007/BF00761304 | ||
Tags | Physical Chemistry; Inorganic Chemistry; Metal Complex; INDO Method | ||
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Abstract:
Calculations of monoprotonated forms of complexes of tetraazaporphyrin with Cu, Ni, Co, Fe were carried out by the LCAO MO method in an INDO valence approximation. The possible positions of the proton with respect to the complex were analyzed. Good agreement was obtained between the theoretical and experimental values of the energies of the long-wave electronic transitions. An explanation has been proposed for the dependence of the basicity of the complex on the nature of the complex forming metal.
Cite:
Kon'kov K.A.
, Zhidomirov G.M.
, Kaliya O.L.
, Khleskov V.I.
, Ivanov Y.V.
Quantum-Chemical Analysis of Acid-Base Properties of Metal Complexes of Azaporphyrins by the INDO Method
Journal of Structural Chemistry. 1989. V.30. P.189–194. DOI: 10.1007/BF00761304 WOS Scopus
Quantum-Chemical Analysis of Acid-Base Properties of Metal Complexes of Azaporphyrins by the INDO Method
Journal of Structural Chemistry. 1989. V.30. P.189–194. DOI: 10.1007/BF00761304 WOS Scopus
Original:
Коньков К.А.
, Жидомиров Г.М.
, Калия О.Л.
, Хлесков В.И.
, Иванов Ю.В.
Квантово-химический анализ кислотно-основных свойств металлокомплексов азапорфиринов методом ЧПДП
Журнал структурной химии. 1989. Т.30. №2. С.25-30. РИНЦ
Квантово-химический анализ кислотно-основных свойств металлокомплексов азапорфиринов методом ЧПДП
Журнал структурной химии. 1989. Т.30. №2. С.25-30. РИНЦ
Dates:
Submitted: | Jun 1, 1987 |
Published print: | Mar 1, 1989 |
Identifiers:
Web of science | WOS:A1989FT87600004 |
Scopus | 2-s2.0-34249973112 |
OpenAlex | W2029170415 |
Citing:
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