X-ray emission spectra and electronic structure of palladium β-diketonate complexes

被引：0

作者：

Mazalov, LN ^{[1
]}

Trubina, SV ^{[1
]}

Parygina, GK ^{[1
]}

Oglezneva, IM ^{[1
]}

Zharkova, GI ^{[1
]}

Igumenov, IK ^{[1
]}

机构：

[1] Russian Acad Sci, Siberian Branch, AV Nikolaev Inst Inorgan Chem, Novosibirsk, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2003年 / 44卷 / 06期

关键词：

X-ray and X-ray photoelectron spectroscopy; palladium beta-diketonates; INDO method; molecular orbital relaxation;

D O I：

10.1023/B:JORY.0000034804.04796.8b

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A series of palladium beta-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.

引用

页码：980 / 986

页数：7

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