High resolution infrared spectroscopy of cyanogen N-oxide, NCCNO

Abstract

We report here on the first high resolution infrared absorption spectra of the semistable nitrile oxide, NCCNO. All of the fundamental modes of vibration (except for the lowest-frequency bending mode) and several combination bands have been measured with a Fourier transform spectrometer at a resolution of 0.005 cm−1. In this paper, we present analyses of υ4, the C–C stretching mode at 714.753 94(6) cm−1, υ6, the NCC bending mode at 403.925 97(6) cm−1, υ6+υ7 at 490.123 62(6) cm−1, and the tentatively assigned υ5+υ6 combination band at 826.291 86(8) cm−1. A simultaneous least squares fit of these four bands gives ground state rotational constants of B0=0.077 085 54(34) cm−1 and D0=4.570(30)×10−9 cm−1.