The electronic structure of iron carbonyl complexes as probed by X-ray emission spectroscopy and quantum-chemical calculations


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The electronic structure of the polynuclear iron carbonyl complexes [Et2N][Fe4N(CO)12], [Et4N]2[Fe5C(CO)14], and [Et4N]2[Fe6C(CO)16] has been studied by X-ray emission spectroscopy and quantum-chemical calculations. The fine structure of the FeKβ5 X-ray emission spectra characterizes the distribution of iron valence p electrons over the molecular orbitals of the compounds. Comparison of the fine structure of the FeKβ5 X-ray emission spectra with the densities of states of all atoms in the molecules has made it possible to determine in detail the character and specific features of chemical bonding in the complexes.

Sobre autores

O. Kulikova

Research Institute of Physics

Autor responsável pela correspondência
Email: kov0768@mail.ru
Rússia, Rostov-on-Don, 344090

V. Vlasenko

Research Institute of Physics

Email: kov0768@mail.ru
Rússia, Rostov-on-Don, 344090

A. Kozinkin

Research Institute of Physics

Email: kov0768@mail.ru
Rússia, Rostov-on-Don, 344090

S. Podsukhina

Research Institute of Physics

Email: kov0768@mail.ru
Rússia, Rostov-on-Don, 344090

S. Fedosienko

Sedov Water Transport Institute

Email: kov0768@mail.ru
Rússia, Rostov-on-Don, 344006

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