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Cover Feature: The Impact of Ligand Oxidation State and Fold Angle on the Charge Transfer Processes of Mo IV O‐Dithione Complexes (Eur. J. Inorg. Chem. 10/2021)
Author(s) -
Dille Sara A.,
Colston Kyle J.,
Mogesa Benjamin,
Cassell Joseph,
Perera Eranda,
Zeller Matthias,
Basu Partha
Publication year - 2021
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.202100112
Subject(s) - chemistry , thiophenol , atomic orbital , crystallography , charge (physics) , acceptor , electron transfer , ligand (biochemistry) , molecular orbital , spectral line , electron , atomic physics , computational chemistry , photochemistry , molecule , physics , condensed matter physics , quantum mechanics , medicinal chemistry , biochemistry , receptor , organic chemistry
The Cover Feature shows the impact of ligand fold angle on LL'CT charge transfer between thiophenol and dithione ligands. Reducing the fold angle along the S⋅⋅⋅S vector, shown with gray planes, decreases charge transfer energy, as electron accepting orbitals (green) are better aligned with electron donating orbitals (red). The Mo d xy orbital (blue) plays an active role in facilitating charge transfer between donor and acceptor ligands. The relationship between fold angle and charge transfer energy is supported by crystallographic data, absorption spectra, and theoretical calculations. More information can be found in the Full Paper by P. Basu and co‐workers.