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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. doi:10.1021/j100370a046.

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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.

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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
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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
Deposited By: Jason Perez
Deposited On:20 May 2015 18:21
Last Modified:10 Nov 2021 21:54

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