Mechanistic insight into proton-coupled mixed valency

TY - JOUR

T1 - Mechanistic insight into proton-coupled mixed valency

AU - Wilkinson, Luke Alexander

AU - Vincent, Kevin

AU - Meijer, Anthony

AU - Patmore, Nathan

PY - 2016

Y1 - 2016

N2 - 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 109 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.

AB - 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 109 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.

U2 - 10.1039/C5CC07101A

DO - 10.1039/C5CC07101A

M3 - Article

SN - 1359-7345

VL - 52

SP - 100

EP - 103

JO - Chemical communications

JF - Chemical communications

IS - 1

ER -