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Can methylene amidogene and its isomers be formed by a concerted reaction?
Author(s) -
Metropoulos Aristophanes
Publication year - 2010
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.22438
Subject(s) - methylene , chemistry , excited state , photochemistry , computational chemistry , concerted reaction , ground state , quantum chemical , quantum , medicinal chemistry , atomic physics , molecule , organic chemistry , physics , catalysis , quantum mechanics
We have explored the possibility of occurrence of the concerted formation of the methylene amidogene radical and its cis isomer from H 2 and CN at energy regimes of over 60 kcal/mol relative to the ground state of the radical. We have concluded that for the cases of parallel and perpendicular orientations of H 2 and CN, a concerted reaction is possible in principle provided that H 2 is vibrationally excited. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
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