ROVIBRATIONAL ANALYSIS OF THE HIGH RESOLUTION FT-IR SPECTRA OF THE $C \equiv $N STRETCHING BANDS $\nu_{1}$ AND $\nu_{2}$ OF ISOCYANOGEN, CNCN

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1991

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Ohio State University

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Since our last report on the high resolution rotational spectrum of isocyanogen, CNCN, we completed measurements of the high resolution FT-IR spectrum of this species between 150 cm−1 and 2400 cm−1 using the Bruker IFS 120 HR. The CN stretching band systems ν1 and $\nu_{2} $ centered around 2302.0cm−1 and 2059.7cm−1, respectively, were observed with an unapodized resolution of 0.003cm−1 which is just below the Doppler linewidth. We obtained signal to noise ratios of up to 300 and 450 for the lines of the fundamental bands ν1 and ν2, respectively. This made possible the assignment of hot band transitions in both band systems originating from the states with up to 3 quanta of the cis-bending mode ν5, the singly excited trans bending mode ν4, and the combination state (ν4ν5)=(11). Up to now we have assigned around 2500 lines in the two band systems. In the case of the ν2 fundamental band we expect to identify the transitions of the 13C isotopomers in natural abundance. We also have assigned around 1000 transitions in the bands due to the trans and cis bending modes ν4 and ν5 located at 463.5cm−1 and 194.8cm−1, respectively. This will allow the determination of the vibrational energy level diagram for the bending states starting from the ground state and the corresponding bending stacks associated with ν1 and ν2. Adjusted spectroscopic constants of an effective hamiltonian will be presented.

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M.C.L. Gerry, P. Stroh and M. Winnewisser, J. Mol. Spectrosc. 140, 147-161 (1990).""


Author Institution: Physikalisch-Chemisches Institut, Justus-Liebig-Universitat, D-6300, Giessen, Germany

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