Article ID Journal Published Year Pages File Type
5429172 Journal of Quantitative Spectroscopy and Radiative Transfer 2012 25 Pages PDF
Abstract

The infrared absorption spectrum of ICN has been recorded in the region 200-5000 cm−1 with a Bruker 120HR interferometer, and several tenthousands of lines have been measured with a precision between 0.0001 and 0.001 cm−1. 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 ℓ-type resonance and the strong Fermi resonance coupling the states ν1=1 and ν2=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 σˆ=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 cm−1, also listed in the second depository.

► Cyanogen iodide (ICN)>high resolution FTIR spectra between 200 and 5000 cm−1. ► Global rovibrational analysis of IR, microwave, and millimeterwave data for I12C14N. ► 109 parameters including 24 off-diagonal anharmonic and Coriolis resonance parameters.

Related Topics
Physical Sciences and Engineering Chemistry Spectroscopy
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