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Mechanistic insight into proton-coupled mixed valency
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| Journal | Chemical communications |
|---|---|
| Date | Accepted/In press - 19 Oct 2015 |
| Date | E-pub ahead of print - 19 Oct 2015 |
| Date | Published (current) - 2016 |
| Issue number | 1 |
| Volume | 52 |
| Number of pages | 4 |
| Pages (from-to) | 100-103 |
| Early online date | 19/10/15 |
| Original language | English |
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 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.
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