Mechanistic insight into proton-coupled mixed valency

Chem Commun (Camb). 2016 Jan 4;52(1):100-3. doi: 10.1039/c5cc07101a.

Abstract

Stabilisation of the mixed-valence state in [Mo2(TiPB)3(HDOP)]2(+) (HTiPB = 2,4,6-triisopropylbenzoic acid, H2DOP = 3,6-dihydroxypyridazine) by electron transfer (ET) is related to the proton coordinate of the bridging ligands. Spectroelectrochemical studies suggest that ET is slower than 10(9) s(-1). The mechanism has been probed using DFT calculations, which show that proton transfer induces a larger dipole in the molecule resulting in ET.

Publication types

  • Research Support, Non-U.S. Gov't