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Title Infrared multiphoton dissociation of ethyl and methyl acetate
Creator/Author Hintsa, E.J. ; Wodtke, A.M. ; Lee, Y.T.
Publication Date1988 Sep 22
OSTI IdentifierOSTI ID: 6254098
Other Number(s)CODEN: JPCHA
Resource TypeJournal Article
Resource RelationJ. Phys. Chem. ; Vol/Issue: 92:19
Research OrgLawrence Berkeley Lab., CA (USA)
Subject400500 -- Photochemistry; ACETATES-- DISSOCIATION; BINDING ENERGY;CHEMICAL REACTION YIELD;EXPERIMENTAL DATA;INFRARED RADIATION;LASERS;MASS SPECTROSCOPY;MULTI-PHOTON PROCESSES;PHOTOLYSIS;TIME-OF-FLIGHT SPECTROMETERS
Related SubjectCARBOXYLIC ACID SALTS;CHEMICAL REACTIONS;DATA;DECOMPOSITION;ELECTROMAGNETIC RADIATION;ENERGY;INFORMATION;MEASURING INSTRUMENTS;NUMERICAL DATA;PHOTOCHEMICAL REACTIONS;RADIATIONS;SPECTROMETERS;SPECTROSCOPY;YIELDS
Description/Abstract The collisionless decompositions of ethyl and methyl acetate was investigated with IR multiphoton dissociation.^With a fluence of 40 J/cm/sup 2/, ethyl acetate gave 97% concerted decomposition producing ethylene and acetic acid, the latter of which underwent significant secondary decomposition to ketene and water.^Simple bond rupture producing ethyl radical and CH/sub 3/CO/sub 2/, which completely decomposed to CH/sub 3/ and CO/sub 2/, accounted for the remaining reaction produce.^Methyl acetate underwent concerted reaction to produce methanol and ketene and simple bond rupture to form CH/sub 3/ and CH/sub 3/CO/sub 2/, in near equal amounts.^All of the concerted reactions released more than half (approx.20 kcal/mol) of the exit channel barrier into translational energy.^From the branching ratio between the two channels and the translational energy distribution of the simple bond rupture channel, the barrier for concerted reaction in methyl acetate was determined to be 69 /plus minus/ kcal/mol.
Country of PublicationUnited States
LanguageEnglish
FormatPages: 5379-5387
System Entry Date2001 May 13

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