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Semiempirical and thermodynamic calculations on the exothermic degradation of vinyl polyperoxides

Nanda, AK and Kishore, K (2000) Semiempirical and thermodynamic calculations on the exothermic degradation of vinyl polyperoxides. In: Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry, 39 (06). pp. 631-633.

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Official URL: http://www.niscair.res.in/ScienceCommunication/Res...

Abstract

Theoretical analysis based on semiempirical and thermodynamical calculations has been carried out for finding out the possible route for the formation of a stable degradation product in polyperoxides. From the considerations of bond dissociation energy, exothermicity of the reaction, selectivity of the radicals, activation barrier and free energy of the reaction, it has been demonstrated that polyperoxides degrade through O-O bond dissociation through an alkoxy diradical intermediate leading to the formation of aldehydes/ketones.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Council of Scientific and Industrial Research.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 13 Nov 2009 05:53
Last Modified: 13 Nov 2009 05:53
URI: http://eprints.iisc.ernet.in/id/eprint/18196

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