Anisotropic valence→core x-ray fluorescence from a [Rh(en)3][Mn(N)(CN)5]·H2O single crystal: Experimental results and density functional calculations
Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
Standard
Anisotropic valence→core x-ray fluorescence from a [Rh(en)3][Mn(N)(CN)5]·H2O single crystal : Experimental results and density functional calculations. / Bergmann, U.; Bendix, J.; Glatzel, P.; Gray, H. B.; Cramer, S. P.
I: Journal of Chemical Physics, Bind 116, Nr. 5, 01.02.2002, s. 2011-2015.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
Harvard
APA
Vancouver
Author
Bibtex
}
RIS
TY - JOUR
T1 - Anisotropic valence→core x-ray fluorescence from a [Rh(en)3][Mn(N)(CN)5]·H2O single crystal
T2 - Experimental results and density functional calculations
AU - Bergmann, U.
AU - Bendix, J.
AU - Glatzel, P.
AU - Gray, H. B.
AU - Cramer, S. P.
PY - 2002/2/1
Y1 - 2002/2/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0036470206&partnerID=8YFLogxK
U2 - 10.1063/1.1419062
DO - 10.1063/1.1419062
M3 - Journal article
AN - SCOPUS:0036470206
VL - 116
SP - 2011
EP - 2015
JO - The Journal of Chemical Physics
JF - The Journal of Chemical Physics
SN - 0021-9606
IS - 5
ER -
ID: 240003344