The study of the electronic structure of SbCl5L and SnCl4L2 complexes by the PM3 method

Аннотация

The electronic structures of the SbCl₅L and SnCl₄L₂ complexes are studied by the PM3 method. The results are compared with the relevant ³⁵Cl NQR, ¹²¹Sb NQR, and Mossbauer data. The calculated nuclear quadrupole coupling constants agree well with their experimental values. The energies of formation of the donor-acceptor bonds are correlated with the amounts of transferred electron density. The observed correlation relationships are different for the cis and trans complexes.

Язык оригинала	Английский
Страницы (с-по)	698-702
Число страниц	5
Журнал	Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya
Том	23
Номер выпуска	10
Состояние	Опубликовано - 1 окт 1997

ASJC Scopus subject areas

Chemistry(all)
Chemical Engineering(all)

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The study of the electronic structure of SbCl₅L and SnCl₄L₂ complexes by the PM3 method. / Poleshchuk, O. Kh; Latoshinska, I.; Koput, Ya.

В: Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, Том 23, № 10, 01.10.1997, стр. 698-702.

Результат исследований: Материалы для журнала › Статья › рецензирование

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abstract = "The electronic structures of the SbCl5L and SnCl4L2 complexes are studied by the PM3 method. The results are compared with the relevant 35Cl NQR, 121Sb NQR, and Mossbauer data. The calculated nuclear quadrupole coupling constants agree well with their experimental values. The energies of formation of the donor-acceptor bonds are correlated with the amounts of transferred electron density. The observed correlation relationships are different for the cis and trans complexes.",

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