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NCCN in TMC-1 and IRC+10216
Authors:S. Petrie  T. J. Millar   A. J. Markwick
Affiliation:Department of Chemistry, the Faculties, Australian National University, Canberra ACT 0200, Australia;Department of Physics, UMIST, PO Box 88, Manchester M60 1QD
Abstract:We employ quantum chemical calculations using the CBS-RAD ('Complete Basis Set – Radicals') technique on the C2N2H 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.
Keywords:molecular data    molecular processes    circumstellar matter    stars: individual: IRC+10216    ISM: individual: TMC-1    ISM: molecules
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