Mechanistic insight into proton-coupled mixed valency

Luke A. Wilkinson; Kevin B. Vincent; Anthony J. H. M. Meijer; Nathan J. Patmore

doi:10.1039/C5CC07101A

Mechanistic insight into proton-coupled mixed valency

Luke A. Wilkinson, Kevin B. Vincent, Anthony J. H. M. Meijer, Nathan J. Patmore

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9 Citations (Scopus)

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. © 2015 The Royal Society of Chemistry.

Original language	English
Pages (from-to)	100-103
Number of pages	4
Journal	Chemical Communications
Volume	52
Issue number	1
Early online date	19 Oct 2015
DOIs	https://doi.org/10.1039/C5CC07101A
Publication status	Published - 4 Jan 2016

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Nathan Patmore
- N.J.Patmorehud.acuk
- School of Applied Sciences - Professor
- Department of Chemical Sciences
- Chemical Synthesis and Design Centre - Member
- Centre for Functional Materials - Secondary Membership
- Structural, Molecular and Dynamic Modelling Centre - Associate Member
Person: Academic

Cite this

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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. {\textcopyright} 2015 The Royal Society of Chemistry.",

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AU - Vincent, Kevin B.

AU - Meijer, Anthony J. H. M.

AU - Patmore, Nathan J.

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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. © 2015 The Royal Society of Chemistry.

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DO - 10.1039/C5CC07101A

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Mechanistic insight into proton-coupled mixed valency

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