The high resolution infrared spectroscopy of cyanogen di-N-oxide (ONCCNO)

Bujin Guo, T. Pasinszki, Nicholas P C Westwood, Peter F. Bernath

Research output: Contribution to journalArticle

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Abstract

The high-resolution infrared absorption spectrum of the oxalodinitrile di-N-oxide (ONCCNO) molecule has been recorded in the gas phase with a Fourier transform spectrometer at a resolution of 0.003 cm-1. No previous high-resolution spectra have been recorded for this semistable palindromic molecule. On the basis of the 2:1 intensity alternation in the rotational lines caused by nitrogen nuclear spin statistics, the ONCCNO molecule appears to be linear. A quasilinear structure, however, cannot be ruled out at this stage of the analysis. The V4 and V5 fundamental modes at 2246.040 55(23) cm-1 and 1258.475 30(11) cm-1 have been analyzed to give ground state rotational constants of B0=0.042 202 10(96) cm-1 and D0=8.77(70)X10-10 cm-1. By fixing the CN and NO bond lengths to 1.1923 and 1.1730 Å, respectively, the C-C bond length was determined to be 1.3329 Å using the B0 value. This short C-C bond length is thus similar to that observed for a carbon-carbon double bond.

Original languageEnglish
Pages (from-to)3335-3340
Number of pages6
JournalThe Journal of Chemical Physics
Volume103
Issue number9
Publication statusPublished - 1995

Fingerprint

cyanogen
Bond length
Oxides
Infrared spectroscopy
infrared spectroscopy
Molecules
oxides
high resolution
Carbon
molecules
carbon
Infrared absorption
alternations
nuclear spin
fixing
Ground state
infrared absorption
Spectrometers
Absorption spectra
Fourier transforms

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

The high resolution infrared spectroscopy of cyanogen di-N-oxide (ONCCNO). / Guo, Bujin; Pasinszki, T.; Westwood, Nicholas P C; Bernath, Peter F.

In: The Journal of Chemical Physics, Vol. 103, No. 9, 1995, p. 3335-3340.

Research output: Contribution to journalArticle

Guo, B, Pasinszki, T, Westwood, NPC & Bernath, PF 1995, 'The high resolution infrared spectroscopy of cyanogen di-N-oxide (ONCCNO)', The Journal of Chemical Physics, vol. 103, no. 9, pp. 3335-3340.
Guo, Bujin ; Pasinszki, T. ; Westwood, Nicholas P C ; Bernath, Peter F. / The high resolution infrared spectroscopy of cyanogen di-N-oxide (ONCCNO). In: The Journal of Chemical Physics. 1995 ; Vol. 103, No. 9. pp. 3335-3340.
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