ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
High resolution x-ray fluorescence spectra have been recorded for emission in different directions from a single crystal of the compound [Rh(en)3][Mn(N)(CN)5]⋅H2O. The spectra are interpreted by comparison with density functional theory (DFT) electronic structure calculations. The Kβ″ line, which is strongly polarized along the Mn–N axis, can be viewed as an N(2s)→Mn(1s) transition, and the angular dependence is understood within the dipole approximation. The so-called Kβ2,5 region has numerous contributions but is dominated by Mn(4p) and C(2s)→Mn(1s) transitions. Transition energy splittings are found in agreement with those of calculated occupied molecular orbitals to within 1 eV. Computed relative transition probabilities reproduce experimentally observed trends. © 2002 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1419062
