Theory of the transition from sequential to concerted electrochemical proton-electron transfer

Koper, Marc T. M.

Physical Chemistry Chemical Physics, 2013, 15(5), 1399-1407

Permalink : https://hdl.handle.net/2115/53165

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ファイル	フォーマット	サイズ	閲覧回数	説明
PCCP15-5_1399-1407	pdf	1.45 MB	1,784

アクセス権	open access
URI	https://hdl.handle.net/2115/53165
タイトル	Theory of the transition from sequential to concerted electrochemical proton-electron transfer
著者	著者名 Koper, Marc T. M.
言語	英語
発行日	2013-02-07
出版者	Royal Society of Chemistry
収録物名	Physical Chemistry Chemical Physics
巻(号)	15(5)
ページ	1399-1407
抄録	A theory for the calculation of potential energy surfaces of electrochemical proton-coupled electron transfer is considered and parameterized on the basis of thermodynamic relations. The paper discusses the qualitatively different potential energy surfaces predicted by the theory, and their relation to the existence of sequential and concerted proton-electron transfer pathways. The concomitant activation energies for sequential and concerted PET are calculated. The applied overpotential may change the qualitative shape of the PES and therefore the mechanism of the proton-coupled electron transfer reaction.
資源タイプ	学術雑誌論文
出版タイプ	Accepted Manuscript
権利情報	Phys. Chem. Chem. Phys., 2013,15, 1399-1407 - Reproduced by permission of the PCCP Owner Societies
PISSN	1463-9076
関連情報 (isVersionOf)	出版社版DOI https://doi.org/10.1039/c2cp42369c