High resolution FTIR spectrum of cyanogen iodide between 200 and 5000 cma1. Global rovibrational analysis of IR and MW data for I12C14N

The infrared absorption spectrum of ICN has been recorded in the region 200a5000 cma1 with a Bruker 120HR interferometer, and several tenthousands of lines have been measured with a precision between 0.0001 and 0.001 cma1. Most of these lines have been assigned. These new data were combined with tra...

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Bibliographic Details
Published in:Journal of quantitative spectroscopy & radiative transfer 2012-07, Vol.113 (11), p.1170-1194
Main Authors: Fayt, A, Burger, H, Litz, M, Pawelke, G, Demaison, J
Format: Article
Language:English
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Summary:The infrared absorption spectrum of ICN has been recorded in the region 200a5000 cma1 with a Bruker 120HR interferometer, and several tenthousands of lines have been measured with a precision between 0.0001 and 0.001 cma1. Most of these lines have been assigned. These new data were combined with transitions previously measured in the microwave and millimeterwave ranges. After a band-by-band analysis including 292 subbands a rovibrational global analysis has been performed using all available data. The main resonances are the rotational a-type resonance and the strong Fermi resonance coupling the states I121=1 and I122=2 via the cubic anharmonic constant k122. In addition, many local resonances became evident by the observation of the corresponding avoided crossings. In particular, there is a direct coupling between the states (400) and (240) due to the fourth-order resonance k112222. There is also a fourth-order Coriolis resonance governed by C11222 responsible for interactions between the (200) and (030) states. All these interactions have been taken into account in one-step diagonalization procedures. A statistical agreement with the 6344 selected pieces of data has been obtained, with an estimated standard deviation I E =0.660. All those data and their deviations are given in the first depository. A set of 109 parameters including 24 off-diagonal anharmonic and Coriolis resonance parameters has been derived. They have been used to calculate effective rovibrational parameters for all substates up to more than 6000 cma1, also listed in the second depository.
ISSN:0022-4073
DOI:10.1016/j.jqsrt.2012.02.013