The Theory of Long Distance Electron Transfer Reactions

The Theory of Long Distance Electron Transfer Reactions
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Total Pages : 254
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ISBN-10 : OCLC:436998066
ISBN-13 :
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Book Synopsis The Theory of Long Distance Electron Transfer Reactions by : David Nathan Beratan

Download or read book The Theory of Long Distance Electron Transfer Reactions written by David Nathan Beratan and published by . This book was released on 1986 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rate of electron transport between distant sites was studied. The rate depends crucially on the chemical details of the donor, acceptor, and surrounding medium. These reactions involve electron tunneling through the intervening medium and are, therefore, profoundly influenced by the geometry and energetics of the intervening molecules. The dependence of rate on distance was considered for several rigid donor-acceptor "linkers" of experimental importance. Interpretation of existing experiments and predictions for new experiments were made. The electronic and nuclear motion in molecules is correlated. A Born-Oppenheimer separation is usually employed in quantum chemistry to separate this motion. Long distance electron transfer rate calculations require the total donor wave function when the electron is very far from its binding nuclei. The Born-Oppenheimer wave functions at large electronic distance are shown to be qualitatively wrong. A model which correctly treats the coupling was proposed. The distance and energy dependence of the electron transfer rate was determined for such a model.


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