Electronic Structure and Symmetry in Nickel L Edge X-ray Absorption Spectroscopy: Application to a Nickel Protein

Distorted tetrahedral nickel-nitrosyl complexes: spectroscopic characterization and electronic structure

“…According to the most ionic description, the [NiF 2 ] complex has the largest pre-edge intensity that can be correlated with approximately 100 % Ni 3d character in the experimentally probed unoccupied frontier orbitals. The presence of two pre-edge features for the gray [NiF 2 ] spectrum is due to multiplet effects [86].…”

X-ray Absorption Spectral Analyses by Theoretical Calculations for TiO2 and Ni-Doped TiO2 Thin Films on Glass Plates

“…20,22,23 We must consider here that the L-edge spectra are profiled by the 2p spin-orbit interaction splitting, that is, the L3 (2p3/2) edge and the L2 (2p1/2) edge. Thus, the electron transitions of the L-edges were described as 2p3d n → 3d n+1 and 2p3d n L→2p -3d n+2 L -by taking the ligand-to-metal charge transfer into account, where and L -stand for the 2p core hole and holes in the ligand band, respectively.…”

“…According to a theoretical calculation introducing the manybody theory by van der Laan et al 20 and van Elp et al, 22 it has been reported that the large peak at 853 eV is assigned to the 2p -3/2 -3d 9 character and that the next peak at around 855 eV is assigned to 3d 9 L or hybrid ( 3d 9 and 3d 10 L -) characters. Also, the changes in the feature and position of the peak around 855 eV indicate that the spectral features are directly related to the oxidized form, or are reflected in multiplet splittings.…”

“…12,16,17,[20][21][22][23][24] So far, nanocrystal TiO2 and Ni ions deposited on a SiO2 crystal have been studied by X-ray absorption experiments. 7,[25][26][27][28] However, TiO2 and Ni ion-doped TiO2 thin films on glasses have been little observed by similar experiments; in addition, the steric and electronic structures of Ti and Ni ions in the thin films on the glasses have not yet been discussed by theoretically analyzing the obtained spectra.…”

Insights into the Induced Ultrafast Electron Delocalization in Fe(CO)5 Using Dark Channel Fluorescence Yield X‐Ray Absorption

“…[ tween FY and transmission spectra have been reported in molecular systems, [29] proteins [30] and solids, [31] appearing mainly as different intensity ratios of the L 3 to L 2 edges and as satellite bands at each edge. Self-absorption effects restrict the use of the FY method for XAS.…”