High-resolution FTIR spectrum of CH2D79Br: the ground, v5=1 and v9=1 state constants

The first high-resolution infrared spectrum of CH2D79Br has been investigated in the range 710-1080 cm-1 by Fourier transform infrared spectroscopy employing a synchrotron radiation source at an unapodized resolution of 0.0025 cm-1. This spectral region accounts for the fundamental bands ν5 (ν0 = 76...

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Bibliographic Details
Published in:Molecular physics 2010-04, Vol.108 (6), p.733-738
Main Authors: Baldacci, A, Stoppa, P, Giorgianni, S, Wugt Larsen, R
Format: Article
Language:English
Subjects:
Band spectra
Banded structure
Bands
Constants
Coriolis force
Fourier transforms
Grounds
Molecular physics
Radiation
Spectrum analysis
Synchrotron radiation
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Summary:The first high-resolution infrared spectrum of CH2D79Br has been investigated in the range 710-1080 cm-1 by Fourier transform infrared spectroscopy employing a synchrotron radiation source at an unapodized resolution of 0.0025 cm-1. This spectral region accounts for the fundamental bands ν5 (ν0 = 768.809 cm-1) and ν9 (ν0 = 930.354 cm-1), having the structure of hybrid a/b- and c-type bands of near-prolate asymmetric tops, respectively. The rovibrational analysis was performed over a wide range of transitions with quantum numbers J ≤ 72 and Ka ≤ 16. The experimentally determined ground-state constants including four sextic coefficients were obtained for the first time by merging the ground-state combination differences of the two bands. The A-reduced Watson Hamiltonian in the Ir representation was adopted to fit the data. Only weak interaction effects ascribed to a-type Coriolis coupling influenced the Ka = 10-14 stacks of the bands. The residuals were adjusted by including one higher-order interaction term in a dyad model.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268970903567270