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Comparison of Experimental and Theoretical Electronic Matrix Elements for Long-Range Electron Transfer

Siddharth, Prabha and Marcus, R. A. (1990) Comparison of Experimental and Theoretical Electronic Matrix Elements for Long-Range Electron Transfer. Journal of Physical Chemistry, 94 (7). pp. 2985-2989. ISSN 0022-3654. https://resolver.caltech.edu/CaltechAUTHORS:20150520-100601063

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Abstract

The dependence of electron-transfer rates on the number of intervening groups is treated by using a single calculational method for four separate series of compounds: a biphenylyl donor and a 2-naphthyl acceptor, separated by various rigid saturated hydrocarbon bridges, a dimethoxynaphthyl donor and a dicyanovinyl acceptor, separated by norbornyl groups, a Ru(NH_3)_5^II donor and a Ru(NH_3)_5^III acceptor, separated by different numbers of dithiaspiro rings, and an OS(NH_3)_5^II donor and an Ru(NH_3)_5^III acceptor separated by an isonicotinyl plus a variable number of proline groups, which again provide a rigid spacer. The results for the electron-transfer matrix element obtained both with direct diagonalization and with the partitioning method are compared with each other, with the experimental results and, where available, with previously calculated results.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1021/j100370a046DOIArticle
http://pubs.acs.org/doi/abs/10.1021/j100370a046PublisherArticle
ORCID:
AuthorORCID
Marcus, R. A.0000-0001-6547-1469
Additional Information:© 1990 American Chemical Society. Publication Date: April 1990. We are pleased to acknowledge the support of this research by a grant from the National Science Foundation.
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Issue or Number:7
Record Number:CaltechAUTHORS:20150520-100601063
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20150520-100601063
Official Citation:Comparison of experimental and theoretical electronic matrix elements for long-range electron transfer Prabha. Siddarth and R. A. Marcus The Journal of Physical Chemistry 1990 94 (7), 2985-2989 DOI: 10.1021/j100370a046
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:57699
Collection:CaltechAUTHORS
Deposited By: Jason Perez
Deposited On:20 May 2015 18:21
Last Modified:22 Nov 2019 09:58

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