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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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 Kβ2,5 features are highly polarized along molecular axes.
Originalsprog | Engelsk |
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Tidsskrift | Journal of Chemical Physics |
Vol/bind | 116 |
Udgave nummer | 5 |
Sider (fra-til) | 2011-2015 |
Antal sider | 5 |
ISSN | 0021-9606 |
DOI | |
Status | Udgivet - 1 feb. 2002 |
ID: 240003344