Activation barriers in the $\alpha$ -cleavage processes of acetaldehyde

Malar, Joy Padma E and Chandra, Ashish K (1987) Activation barriers in the $\alpha$ -cleavage processes of acetaldehyde. In: Journal of Physical Chemistry, 91 (19). pp. 5111-5112.

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Abstract

The energy profiles for the decompn. of the lowest triplet state of acetaldehyde via reactions (1) $CH_3CHO^* \righarrow CH_3CO + H$ and (2) $CH_3CHO^* \rightarrow CH_3 + CHO$ have been computed by using the recently developed semiempirical SCFMO methods. The height of the activation barrier of reaction 1 is about 6 kcal/mol less than that of reaction 2

Item Type:	Journal Article
Publication:	Journal of Physical Chemistry
Publisher:	American Chemical Society
Additional Information:	Copyright of this article belongs to American Chemical Society
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	23 Jun 2008
Last Modified:	19 Sep 2010 04:46
URI:	http://eprints.iisc.ac.in/id/eprint/14347

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