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Theoretical analysis of the vibrational spectra and the nature of the coordination bond of platinum nitrile complexesстатья
Информация о цитировании статьи получена из
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Kuznetsov M.L., Dement’ev A.I., Nazarov A.A.
- Журнал: Russian Journal of Inorganic Chemistry
- Том: 50
- Номер: 5
- Год издания: 2005
- Издательство: Maik Nauka/Interperiodica Publishing
- Местоположение издательства: Russian Federation
- Первая страница: 731
- Последняя страница: 739
- Аннотация: The vibrational spectra and the nature of the coordination bond of three platinum nitrile complexes - trans-[PtCl 2(NCCH 3) 2] (1), [PtCl 5(NCCH 3)] - (2), and trans-[PtCl 4(NCCH 3) 2] (3) - were studied at the Hartree-Fock and density functional theory (B3LYP) levels. The absorption bands in the vibrational spectra of these compounds were completely assigned. The adiabatic and vertical coordination bond energies were calculated. The nature of the chemical bonds was studied using the Bader method, the natural bond orbital method, and charge decomposition analysis. Acetonitrile virtually does not exhibit the π-accepting properties in these compounds: π-backdonation slightly manifests itself only in complex 1. Copyright © 2005 by Pleiades Publishing, Inc.
- Добавил в систему: Назаров Алексей Анатольевич