The high-resolution FTIR spectrum of the v6 band of C2H3D

College

College of Science

Department/Unit

Physics

Document Type

Article

Source Title

Journal of Molecular Spectroscopy

Volume

263

First Page

160

Last Page

165

Publication Date

2010

Abstract

The absorption spectrum of the ν6 band of C2H3D centered near 1125.27674cm −1 in the 1100–1250cm −1 region was recorded with an unapodized resolution of 0.0063cm −1 using a Fourier transform infrared (FTIR) spectrometer. A total of 947 infrared transitions of the A–B hybrid-type band were assigned and fitted to upper-state (ν 6 =1) rovibrational constants using a Watson’s A-reduced Hamiltonian in the I r representation up to eighth-order centrifugal distortion terms. The b-type infrared transitions of the band were analyzed for the first time. The root-mean-square deviation of the fit was 0.00062cm −1 . The ground-state rovibrational constants up to eighth-order terms were also obtained by a fit of 617 combination differences from the present infrared measurements, simultaneously with 21 microwave frequencies with a root-mean-square deviation of 0.00055cm −1 . From this work, the upper-state (ν 6 =1) and ground-state constants of C2H3D were derived with the highest accuracy, so far. The a- and b-type transitions of the hybrid ν 6 band were found to be relatively free from local frequency perturbations. The ratio of the a- to b-type vibrational dipole transition moments (μ a /μ b ) was found to be 1.05±0.10. From the ν 6 =1 rovibrational constants obtained, the inertial defect Δ 6 was calculated to be 0.3570±0.0008μÅ 2 .

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Disciplines

Biological and Chemical Physics

Keywords

Ethylene; Fourier transform infrared spectroscopy

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