Decomposition of formyl fluoride on the lowest triplet state surface

Sumathi, R and Chandra, AK (1992) Decomposition of formyl fluoride on the lowest triplet state surface. In: Chemical Physics, 165 (2-3). pp. 257-263.

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Abstract

Decomposition of formyl fluoride on the lowest triplet potential energy hypersurface is studied using ab initio quantum chemical methods. Dissociation energies and the barrier to dissociation from the lowest triplet HFCO into $H(^2S)$ and $FCO(^2A')$ are reported. Results reveal that the barrier to dissociation into $F(^2P) + HCO (^2A')$ is very high. The triatomic radical, $FCO(^2A')$ decomposes into $F(^2P) +CO(^1\sum)$ from the high vibrational levels of the C-F stretch.

Item Type:	Journal Article
Publication:	Chemical Physics
Publisher:	Elsevier
Additional Information:	Copyright of this article belongs to Elsevier.
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	22 Aug 2006
Last Modified:	19 Sep 2010 04:30
URI:	http://eprints.iisc.ac.in/id/eprint/8082

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