Journal
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
Volume 341, Issue 2, Pages 609-616Publisher
OXFORD UNIV PRESS
DOI: 10.1046/j.1365-8711.2003.06436.x
Keywords
molecular data; molecular processes; circumstellar matter; stars : individual : IRC+10216; ISM : individual : TMC-1; ISM : molecules
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We employ quantum chemical calculations using the CBS-RAD ('Complete Basis Set - Radicals') technique on the C-2 N-2 H potential energy surface to show that the reaction of HNC with CN is a viable and plausible route to NCCN in cold astrophysical environments. We use detailed chemical kinetic models to predict the abundance of NCCN in TMC-1 and IRC+10216. Radio-astronomical detection of NCCN is precluded by its lack of a dipole moment. We discuss other prospects for its observation in interstellar and circumstellar environments, by space-borne infrared spectroscopy, indirectly by detection of the NCCNH+ ion, or inferentially by detection of its higher-energy, polar isomer CNCN.
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