| Autor: |
Alain Veillard |
| Rok vydání: |
1992 |
| Předmět: |
|
| Zdroj: |
Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory ISBN: 9789401051958 |
| DOI: |
10.1007/978-94-011-2698-4_8 |
| Popis: |
A number of photochemical reactions of organometallics have been studied theoretically during the last years. Potential energy curves and potential energy surfaces have been obtained for some typical reactions from ab initio CI calculations using CASSCF wavefunctions as reference wavefunctions. State correlation diagrams have also been derived for other photochemical reactions. In a number of cases the photoactive excited state has been identified and the reaction path has been elucidated. Only a limited number of mechanisms seems to be operative, two for the reactions leading to the elimination of a closed-shell fragment (carbon monoxide or molecular hydrogen for instance) and one for the homolytic process leading to radical fragments. In most cases the reaction proceeds on more that one potential energy curve or potential energy surface, the system passing from one curve (or surface) to the next one through intersystem crossing or internal conversion. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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