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Intersystem crossing at singlet conical intersections

Paper ID Volume ID Publish Year Pages File Format Full-Text
28087 44059 2007 7 PDF Available
Title
Intersystem crossing at singlet conical intersections
Abstract

The energy of the lowest triplet state of organic molecules is intermediate between the ground state and the first excited singlet. At the S1/S0 conical intersection, the two singlet states are degenerate. It is shown that for some molecules (ethylene, benzene, toluene and pyrrole) the T1 state is also degenerate with the two singlet states. Moreover, the spin orbit coupling matrix element at this structure is necessarily large, so that intersystem crossing can be quite efficient. If the lowest triplet state is repulsive (as in the studied molecules) it may significantly contribute to the dissociation yield under certain experimental conditions.

Keywords
Intersystem crossing; Conical intersection; Pyrrole; Ethylene; Toluene; Photo-dissociation; Spinorbit coupling
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Intersystem crossing at singlet conical intersections
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Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 190, Issues 2–3, 15 August 2007, Pages 200–206
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
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