X-Ray Emission Spectra and Electronic Structure of Palladium b-Diketonate Complexes

Autor: L. N. Mazalov, G. K. Parygina, S. V. Trubina, Galina I. Zharkova, I. M. Oglezneva, Igor K. Igumenov
Rok vydání: 2003
Předmět:
Zdroj: Journal of Structural Chemistry. 44:980-986
ISSN: 0022-4766
DOI: 10.1023/b:jory.0000034804.04796.8b
Popis: A series of palladium β-diketonate complexes have been studied by X-ray spectroscopy. For interpreting the X-ray emission spectra, electronic structure calculations have been performed by the INDO method for the Pd(acac)2 and Pd(hfac)2 complexes in the ground state. The results of these calculations indicate that if one HOMO is excited, the electronic structure of the whole complex undergoes considerable rearrangements changing the sequence of HOMOs.
Databáze: OpenAIRE