An experimental study of the mechanism and branching ratio for the reaction between methyl formate and chlorine atoms

FTIR spectroscopy/UV laser flash photolysis has been used to examine the reaction of chlorine atoms with methyl formate (CH 3OC(O)H) at 296 K. The reaction has two possible branches; extraction of a methyl hydrogen or the carbonyl hydrogen. Measurements of the product yields indicate that abstractio...

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Bibliographic Details
Published in:Chemical physics letters 2002-11, Vol.365 (3), p.267-278
Main Authors: Hansen, Jaron C, Francisco, Joseph S, Szente, Joseph J, Matti Maricq, M
Format: Article
Language:English
Subjects:
Chemistry
Exact sciences and technology
Kinetics and mechanisms
Organic chemistry
Reactivity and mechanisms
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Summary:FTIR spectroscopy/UV laser flash photolysis has been used to examine the reaction of chlorine atoms with methyl formate (CH 3OC(O)H) at 296 K. The reaction has two possible branches; extraction of a methyl hydrogen or the carbonyl hydrogen. Measurements of the product yields indicate that abstraction of the carbonyl hydrogen is favored over the methyl hydrogen by 58±6% (k 1 a =8.1×10 −13 cm 3 mol −1 s −1) to 42±6% (k 1 b =5.9×10 −13 cm 3 mol −1 s −1) . The experimentally determined IR spectrum of CH 2ClOC(O)H and CH 3OC(O)Cl are presented and verified with high level ab initio calculations.
ISSN:0009-2614
1873-4448
DOI:10.1016/S0009-2614(02)01424-0