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
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
Journal title :
Chemical Physics Letters
