Sengupta, D and Sumathi, R and Chandra, AK (1991) The Mechanism Of The Hydrogen Abstraction Process By Photo-Excited Ketones. In: New Journal of Chemistry, 15 (12). 901 -907.
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Qualitative potential energy surfaces for hydrogen abstraction from alkanes containing primary, secondary and tertiary C-H bonds by a photo-excited ketone have been reported, The results suggest that the activation barriers for these processes decrease in the order primary > secondary > tertiary in agreement with the observed trend in the rate constants. The analysis of the electronic structure of the transition-state reveal that electron-transfer from hydrocarbon to ketone and formation of a new bond are almost synchronous in the hydrogen transfer process. The tunneling of hydrogen is not important in the normal temperature region even though the barriers are small.
| Item Type: | Journal Article |
|---|---|
| Publication: | New Journal of Chemistry |
| Publisher: | Royal Society of Chemistry |
| Additional Information: | Copyright of this article belongs to Royal Society of Chemistry. |
| Department/Centre: | Division of Chemical Sciences > Inorganic & Physical Chemistry |
| Date Deposited: | 07 Dec 2010 06:44 |
| Last Modified: | 07 Dec 2010 06:44 |
| URI: | http://eprints.iisc.ac.in/id/eprint/34246 |
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