Since formic acid (HCOOH) is an important constituent in interstellar space (1), it is worthwhile to study HCOOD to determine rovibrational constants that would provide a reliable calculation of the spectra of HCOOD. The present work provides improved spectroscopic constants for the 3 band of HCOOD
Rovibrational Constants for the ν6 and 2ν9 Bands of HCOOD by Fourier Transform Infrared Spectroscopy
✍ Scribed by T.L. Tan; K.L. Goh; P.P. Ong; H.H. Teo
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 103 KB
- Volume
- 198
- Category
- Article
- ISSN
- 0022-2852
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✦ Synopsis
The Fourier transform infrared spectrum of the 6 and 2 9 bands of deuterated formic acid (HCOOD) was recorded with an apodized resolution of 0.004 cm Ϫ1 in the frequency range of 930 -1040 cm Ϫ1 . These two bands with band centers 40 cm Ϫ1 apart were mutually coupled by Coriolis and Fermi interactions. By fitting a total of 1076 infrared transitions of both 6 and 2 9 with a standard deviation of 0.00075 cm Ϫ1 using a Watson's A-reduced Hamiltonian in the I r representation with the inclusion of c-type Coriolis and a Fermi-resonance term, two sets of rovibrational constants for v 6 ϭ 1, and v 9 ϭ 2 states were derived for the first time. Both 6 and 2 9 bands are A type with band centers at 972.8520 Ϯ 0.0001 and 1011.6766 Ϯ 0.0001 cm Ϫ1 , respectively.
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