NCCN in TMC-1 and IRC+10216

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. Show more