Abstract
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 dxy 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.
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