Abstract
The mechanism of photodissociation of the vinyl radical, C 2H3 was studied with high-level ab initio methods. Geometry optimizations of stationary points and surface crossing seams were performed with complete active space self-consistent field method. Both internal conversion and intersystem crossing channels which bring the excited vinyl radical down to ground state potential energy surface were identified.
Original language | English |
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Pages (from-to) | 6524-6538 |
Number of pages | 15 |
Journal | Journal of Chemical Physics |
Volume | 119 |
Issue number | 13 |
DOIs | |
State | Published - Oct 1 2003 |
Externally published | Yes |