Rovibrational Constants for the nu(6) and 2nu(9) Bands of HCOOD by Fourier Transform Infrared Spectroscopy.
The Fourier transform infrared spectrum of the nu(6) and 2nu(9) bands of deuterated formic acid (HCOOD) was recorded with an apodized resolution of 0.004 cm(-1) in the frequency range of 930-1040 cm(-1). These two bands with band centers 40 cm(-1) apart were mutually coupled by Coriolis and Fermi interactions. By fitting a total of 1076 infrared transitions of both nu(6) and 2nu(9) with a standard deviation of 0.00075 cm(-1) 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) = 1, and v(9) = 2 states were derived for the first time. Both nu(6) and 2nu(9) bands are A type with band centers at 972.8520 +/- 0.0001 and 1011.6766 +/- 0.0001 cm(-1), respectively. Copyright 1999 Academic Press.
Tan
TL
School of Science, Nanyang Technological University, National Institute of Education, 469, Bukit Timah Road, Singapore, 259756, Singapore
Goh
KL
Ong
PP
Teo
HH