THE LOW-LYING CCN BENDING MODE OF THE CLOSE-TO-LINEAR MOLECULE NCCNO

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1999

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Ohio State University

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The band system of the low-lying CCN bending mode ν7 of the pseudohalofulminate NCCNO around 85cm−1 has been recorded by high resolution FTIR spectroscopy to supplement our previous investigation of the pure rotational spectrum, which had revealed some slight, but significant indications of quasilinearitya. Besides rovibrational transitions of the fundamental band, rovibrational transitions belonging to the first, second, third, and fourth hot band could be assigned. Using a conventional linear-molecule type Hamiltonianb, these rovibrational transitions have been analyzed together with the pure rotational transitions. The results of this analysis confirm a moderate anharmonicity in the CCN bending potential. To quantify this anharmonicity, the combined data have been subjected to a semirigid bender analysis, which resulted in a rather flat bending potential with a significant quartic contribution.

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a H. Lichau, B.P. Winnewisser, M. Winnewisser, C.W. Gillies, and J.Z. Gillies, 53rd Int. Symposium, talk TH09 (1998) b K.M.T. Yamada, F.W. Birss, and M.R. Alien, J. Mol. Spectrosc. 112, 347-356 (1985)


Author Institution: Physikalisch-Chemisches Institut, Justus-Liebig-Universit""{a}t; Department of Physics, University of New Brunswick

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