Xanes of the Pd and Pt atoms in square and octahedral chloride complexesстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Авторы:
Nemanova V.I.,
Kondratenko A.V.,
Ruzankin S.F.,
Bausk N.V.,
Zhidomirov G.M. ,
Mazalov L.N.
Журнал:
Chemical Physics
Том:
116
Номер:
1
Год издания:
1987
Издательство:
Elsevier BV
Местоположение издательства:
Netherlands
Первая страница:
61
Последняя страница:
68
Аннотация:
The fine structure near the ionization threshold in metal X-ray L-absorption spectra of the clusters PdCl2-4, PtCl2-4, PdCl2-6 and PtCl2-6 simulating solid complex compounds of the type K2PdCl4 and so on has been calculated using the SCF Xα SW method. Pt L3 absorption spectra for the complexes K2PtCl4 and K2PtCl6 have been obtained using synchrotron radiation. The pre-edge white line and the near-edge fine structure (XANES) in Pd and Pt spectra of these square and octahedral chloride complexes have been shown to arise, respectively, from electron excitation to a vacant bound molecular orbital (eg for octahedral and b1g for square complexes) and from photoelectron resonance elastic scattering by the metal atom and its first coordination sphere. The calculations indicated no intense pre-edge transitions for the metal L1 spectra of these complexes and the XANES was shown to be due to several intense narrow shape resonances of the t1u and a2u, eu for octahedral and square complexes, respectively. © 1987.
Добавил в систему:
Жидомиров Георгий Михайлович