Anisotropic valence→core x-ray fluorescence from a [Rh(en)3][Mn(N)(CN)5]·H2O single crystal

Anisotropic valence→core x-ray fluorescence from a [Rh(en)₃][Mn(N)(CN)₅]·H₂O single crystal: Experimental results and density functional calculations

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U. Bergmann
Bendix, Jesper
P. Glatzel
H. B. Gray
S. P. Cramer

Density functional theory (DFT) calculations were employed to interpret the valence→core x-ray emission spectra of a [Rh(en)₃][Mn(N)(CN)₅]·H₂O single crystal. The relative energies of the different transitions were successfully predicted. It found that the Kβ″ and Kβ_2,5 features are highly polarized along molecular axes.

Originalsprog	Engelsk
Tidsskrift	Journal of Chemical Physics
Vol/bind	116
Udgave nummer	5
Sider (fra-til)	2011-2015
Antal sider	5
ISSN	0021-9606
DOI	https://doi.org/10.1063/1.1419062
Status	Udgivet - 1 feb. 2002

ID: 240003344

Kemisk Institut

Anisotropic valence→core x-ray fluorescence from a [Rh(en)3][Mn(N)(CN)5]·H2O single crystal: Experimental results and density functional calculations

Anisotropic valence→core x-ray fluorescence from a [Rh(en)₃][Mn(N)(CN)₅]·H₂O single crystal: Experimental results and density functional calculations