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Ab initio calculations related to the formation of propynal and propadienone in interstellar clouds

✍ Scribed by Robert G.A.R. Maclagan; Murray J. McEwan; Graham.B.I. Scott

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
487 KB
Volume
240
Category
Article
ISSN
0009-2614

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✦ Synopsis

The proposal that propynal, CHCCHO, observed in interstellar clouds is formed by the ion molecule reaction of C2H ~and CO has been investigated in a G2 study. The calculations show that propadienone CH2CCO could be formed by this reaction but not propynal. At the G2 level of theory, propadienone is calculated to be lower in energy than propynal.

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