Role of Hydrogen Bonding in Photoinduced Electron-Proton Transfer from Phenols to a Polypyridine Ru Complex with a Proton-Accepting Ligand

Lymar, Sergei V.; Ertem, Mehmed Z.; Lewandowska-Andralojc, Anna; Polyansky, Dmitry E.

doi:10.1021/acs.jpclett.7b01614

Title: Role of Hydrogen Bonding in Photoinduced Electron-Proton Transfer from Phenols to a Polypyridine Ru Complex with a Proton-Accepting Ligand

Journal Article · Wed Aug 09 00:00:00 EDT 2017 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.7b01614· OSTI ID:1376190

Lymar, Sergei V. ^[1]; Ertem, Mehmed Z. ^[1]; Lewandowska-Andralojc, Anna ^[1];

^[1]

Brookhaven National Lab. (BNL), Upton, NY (United States). Dept. of Chemistry

Electron-proton transfer, EPT, from phenols to a triplet MLCT-excited Ru polypyridine complex containing an uncoordinated nitrogen site, 1(T), can be described by a kinetic model that accounts for the H-bonding of 1(T) to phenol, 1(T) to solvent, and phenol to solvent. The latter plays a major role in the kinetic solvent effect and commonly precludes simultaneous determination of the EPT rate constant and 1(T)-phenol H-bonding constant. A number of these quantities previously reported for similar systems are shown to be in error due to an inconsistent data analysis. In conclusion, control experiments replacing either 1(T) by its structural isomer with a sterically screened nitrogen site or phenol by its H-bonding surrogate, trifluoroethanol, and the observation of negative activation enthalpies for the overall reactions between 1(T) and phenols lend support to the proposed model and provide evidence for the formation of a precursor H-bonded complex between the reactants, which is a prerequisite for EPT.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012704

OSTI ID:: 1376190

Report Number(s):: BNL-114182-2017-JA; R&D Project: CO037; KC0304030

Journal Information:: Journal of Physical Chemistry Letters, Vol. 8; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 12 works

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Solvent-dependent transition from concerted electron–proton to proton transfer in photoinduced reactions between phenols and polypyridine Ru complexes with proton-accepting sites Lymar, Sergei V.; Ertem, Mehmed Z.; Polyansky, Dmitry E. Dalton Transactions, Vol. 47, Issue 44 https://doi.org/10.1039/c8dt03858a	journal	January 2018
Unraveling the Mechanisms of the Excited‐State Intermolecular Proton Transfer (ESPT) for a D‐π‐A Molecular Architecture Hong, Dan‐Li; Luo, Yang‐Hui; He, Xiao‐Tong Chemistry – A European Journal https://doi.org/10.1002/chem.201900856	journal	June 2019

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