High-level ab initio quartic force fields and spectroscopic characterization of C 2 N −

Physical Chemistry Chemical Physics, vol. 23, pp. 26227–26240

Abstract

By relying on a high-level composite energy scheme, we report accurate quartic force fields and spectroscopic attributes for C 2 N − . The results are expected to trigger future laboratory and astronomical line surveys on this nitrile anion.

Authors 2

1. C. M. R. Rocha corresponding Aachen Laboratory for Astrophysics, Leiden Observatory

   Leiden University · Leiden Observatory

   Affiliation as printed

   Laboratory for Astrophysics, Leiden Observatory, Leiden University, P.O. Box 9513, NL-2300 RA Leiden, The Netherlands

2. H. Linnartz Aachen Laboratory for Astrophysics, Leiden Observatory

   Leiden University · Leiden Observatory

   Affiliation as printed

   Laboratory for Astrophysics, Leiden Observatory, Leiden University, P.O. Box 9513, NL-2300 RA Leiden, The Netherlands