Cave, Robert J. and Siders, Paul and Marcus, R. A. (1986) Mutual orientation effects on electron transfer between porphyrins. Journal of Physical Chemistry, 90 (7). pp. 1436-1444. ISSN 0022-3654. doi:10.1021/j100398a044. https://resolver.caltech.edu/CaltechAUTHORS:20150626-144609048
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Abstract
Mutual orientation effects on the rate of nonadiabatic electron transfer between several diporphyrin pairs of experimental interest are examined. The electronic matrix element for electron transfer is calculated within a one-electron spheroidal model for a variety of states and orientations which are relevant to both biological and synthetic electron-transfer systems. Both the mutual orientation of the pairs and the nodal structure of the donor and acceptor orbitals can have large effects on calculated rates.
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| Additional Information: | © 1986 American Chemical Society. Received: August 26, 1985. It is a pleasure to acknowledge support of this research by the Office of Naval Research and by the Office of Basic Energy Sciences of the U. S. Department of Energy. R.J.C. gratefully acknowledges the support of a National Science Foundation Predoctoral Fellowship, 1979-1982. The calculations reported in this paper were made using the computational facilities of the Notre Dame Radiation Laboratory and, at Caltech, of the Dreyfus-NSF theoretical chemistry computer which was funded through grants from the Camille and Henry Dreyfus Foundation, the National Science Foundation, and the Sloan Fund of the California Institute of Technology. | ||||||||||||
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| Issue or Number: | 7 | ||||||||||||
| DOI: | 10.1021/j100398a044 | ||||||||||||
| Record Number: | CaltechAUTHORS:20150626-144609048 | ||||||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20150626-144609048 | ||||||||||||
| Official Citation: | Mutual orientation effects on electron transfer between porphyrins Robert J. Cave, Paul Siders, and R. A. Marcus The Journal of Physical Chemistry 1986 90 (7), 1436-1444 DOI: 10.1021/j100398a044 | ||||||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||||
| ID Code: | 58645 | ||||||||||||
| Collection: | CaltechAUTHORS | ||||||||||||
| Deposited By: | Tony Diaz | ||||||||||||
| Deposited On: | 27 Jun 2015 17:45 | ||||||||||||
| Last Modified: | 10 Nov 2021 22:08 |
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