Open AccessPolarized Ni K ‐ and L ‐edge and S K ‐edge XANES study of [Ni(III)(mnt) 2 ] 1−
Author(s) -
Hatsui T.,
Takata Y.,
Kosugi N.
Publication year - 1999
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049599002174
Subject(s) - xanes , enhanced data rates for gsm evolution , physics , k edge , crystallography , chemistry , spectroscopy , absorption spectroscopy , computer science , optics , quantum mechanics , telecommunications
In order to characterize the singly occupied molecular orbital (SOMO) of [(C2Hs)4N][NilII(mnt)2] (mnt: 1,2-dicyanovinylene1,2-dithiolato), polarized XANES spectra are investigated at the Ni K-edge, Ni L-edge, and S K-edge. Two weak Ni ls ~ 3d* and two strong Ni 2p ~ 3d* transitions are observed, and the lower peak in energy is assigned to the transitions to SOMO. The polarization dependence of the lower peak revealed that SOMO has the b2g symmetry with out-of-plane 3dx~r~* character. The transition to SOMO is also found in the S K-edge XANES, indicating significant ligand n* contribution in SOMO.