Title of article
Ab initio calculations related to the formation of propynal and propadienone in interstellar clouds
Author/Authors
Maclagan، نويسنده , , Robert G.A.R. and McEwan، نويسنده , , Murray J. and Scott، نويسنده , , Graham.B.I.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1995
Pages
8
From page
185
To page
192
Abstract
The proposal that propynal, CHCCHO, observed in interstellar clouds is formed by the ion molecule reacion of C2H3+ 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.
Journal title
Chemical Physics Letters
Serial Year
1995
Journal title
Chemical Physics Letters
Record number
1774128
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