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Evidence for Synchronous Concerted Three‐Body Dissociation of Propenal to C 2 H 2 +CO+H 2
Author(s) -
Lee ShihHuang,
Chin ChihHao,
Chaudhuri Chanchal
Publication year - 2011
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201001091
Subject(s) - dissociation (chemistry) , chemistry , computational chemistry , transition state , spectroscopy , computer science , photochemistry , catalysis , physics , organic chemistry , quantum mechanics
Synchronous dissociation: The transition structure of propenal leading to the fragments C 2 H 2 +CO+H 2 was identified using the computational method B3LYP/6‐311G(d,p). Arrows indicate the linear momenta of the three fragments (see picture). The synchronous concerted three‐body dissociation process was observed by photofragment translational spectroscopy.