Effect of the initial orientation on the reaction attributes for Li + FH → Lif + H on an AB initio surface

Ibrahim Ali , Noorbatcha and N., Sathyamurthy (1982) Effect of the initial orientation on the reaction attributes for Li + FH → Lif + H on an AB initio surface. Chemical Physics Letters , 93 (5). pp. 432-435. ISSN 0009-2614

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Abstract

Results of a three-dimensional quasiclassical trajectory investigation of the orientation dependence of the reaction cross section and the product energy distribution are reported for the title reaction on an ab initio potential-energy surface. The reaction is preferred at the F end rather than at the H end of the molecule. Also, the attack by the Li atom at the F end of the molecule leads to a large product rotational excitation while a broadside attack favors a higher vibrational excitation. This is attributed to the collisions occurring at larger impact parameters for the former than for the latter.

Item Type:	Article (Journal)
Additional Information:	3704/35873
Subjects:	Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	Kulliyyah of Engineering > Department of Biotechnology Engineering
Depositing User:	Prof. Dr. Ibrahim Ali Noorbatcha
Date Deposited:	05 Mar 2014 11:16
Last Modified:	09 Mar 2014 09:56
URI:	http://irep.iium.edu.my/id/eprint/35873

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