The [formula omitted] band system of HNC

Abstract

The [H,C,N] molecular system is a very important model system to many fields of chemical physics. The experimental characterization of highly excited vibrational states of this molecular system with a stable HCN and a metastable HNC isomer is of special interest. The emission spectrum of the HNC isomer has been recorded at 1463 K using hot gas molecular emission (HOTGAME) spectroscopy in the wavenumber region of 3400 – 3800 cm - 1 with a resolution of 0.01 cm - 1 . The dense emission spectrum was analyzed with the spectrum analysis software SyMath™ implemented in the Mathematica™ computer algebra system. This work reports the analysis of the 1 v 2 l 0 → 0 v 2 l 0 band series up to v 2 = 7 and of the 1 v 2 l 1 → 0 v 2 l 1 band series up to v 2 = 4 . 15 rovibronic substates of HNC including all l = 1 , 3 , 5 , 7 sublevels of the v 1 v 2 l v 3 = 17 l 0 highly excited bending combination mode have been characterized for the first time and for the 14 known vibrational sublevels it was possible to improve the existing spectroscopic constants substantially. 23 vibrational sublevels are located for the first time relative to the 00 0 0 state. The exact position of these vibrational levels is an important contribution of this work to the spectroscopic characterization of the bending states of the [H,C,N] molecular system around the HNC minimum of the potential surface.