The critical role of the transition-state cusp diameter in understanding adiabatic and non-adiabatic electron transfer

Reimers, JR; Hush, NS

The critical role of the transition-state cusp diameter in understanding adiabatic and non-adiabatic electron transfer

Reimers, JR

Hush, NS

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Publication Type:: Journal Article
Citation:: Russian Journal of Electrochemistry, 2017, 53 (9), pp. 1042 - 1053
Issue Date:: 2017-09-01

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Field	Value	Language
dc.contributor.author	Reimers, JR https://orcid.org/0000-0001-5157-7422	en_US
dc.contributor.author	Hush, NS	en_US
dc.date.issued	2017-09-01	en_US
dc.identifier.citation	Russian Journal of Electrochemistry, 2017, 53 (9), pp. 1042 - 1053	en_US
dc.identifier.issn	1023-1935	en_US
dc.identifier.uri	http://hdl.handle.net/10453/125232
dc.description.abstract	© 2017, Pleiades Publishing, Ltd. The equation of Levich and Dogonadze describing the rate of electron-transfer processes in the weak-coupling “non-adiabatic” limit is understood in terms of the properties of general adiabatic electron-transfer theory. The cusp diameter describing the continuous changeover of Born–Oppenheimer adiabatic surfaces from donor-like to acceptor-like character is shown to be the critical property controlling reaction rates and intervalence spectra. Their work is presented in the context of general Born–Oppenheimer breakdown phenomena and linked to the overarching cusp catastrophe.	en_US
dc.relation.ispartof	Russian Journal of Electrochemistry	en_US
dc.relation.isbasedon	10.1134/S1023193517090105	en_US
dc.subject.classification	Energy	en_US
dc.title	The critical role of the transition-state cusp diameter in understanding adiabatic and non-adiabatic electron transfer	en_US
dc.type	Journal Article
utslib.citation.volume	9	en_US
utslib.citation.volume	53	en_US
utslib.for	0306 Physical Chemistry (incl. Structural)	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
utslib.copyright.status	open_access
pubs.issue	9	en_US
pubs.publication-status	Published	en_US
pubs.volume	53	en_US

Abstract:

© 2017, Pleiades Publishing, Ltd. The equation of Levich and Dogonadze describing the rate of electron-transfer processes in the weak-coupling “non-adiabatic” limit is understood in terms of the properties of general adiabatic electron-transfer theory. The cusp diameter describing the continuous changeover of Born–Oppenheimer adiabatic surfaces from donor-like to acceptor-like character is shown to be the critical property controlling reaction rates and intervalence spectra. Their work is presented in the context of general Born–Oppenheimer breakdown phenomena and linked to the overarching cusp catastrophe.

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http://hdl.handle.net/10453/125232