Infrared and microwave spectre and force field of DBO: The Coriolis interaction between the nu(1) and nu(2)+nu(3) states

TY - JOUR

T1 - Infrared and microwave spectre and force field of DBO: The Coriolis interaction between the nu(1) and nu(2)+nu(3) states

AU - Kawashima, Y

AU - Colarusso, P

AU - Zhang, K Q

AU - Bernath, P

AU - Hirota, E

PY - 1998/11

Y1 - 1998/11

N2 - The upsilon(1) and upsilon(3) bands of (DBO)-B-11 and the upsilon(1) band of (DBO)-B-10 were observed by using an infrared diode laser spectrometer. The DBO molecule was generated by an sc discharge in a mixture of BCl3, D-2, O-2, and He. As inferred previously, a strong Coriolis interaction was in fact found to take place between the upsilon(1) and upsilon(2) + upsilon(3) states, and an analysis of the observed upsilon(1) spectra, which explicitly took into account this Coriolis interaction, predicted the pure rotational transition frequencies of DBO in the upsilon(1) state. Pure rotational lines were then detected by microwave spectroscopy, confirming the validity of the infrared assignment. In the microwave experiment DBO molecules were generated by a discharge in a mixture of B2D6 and O-2. The three fundamental bands and a hoc band of (DBO)-B-11, as well as the upsilon(1) and upsilon(3) bands of (DBO)-B-10, were subsequently recorded in emission with a Fourier transform infrared spectrometer. DBO molecules were generated by the reaction of D-2 with HBO at temperatures above 800 degrees C in a ceramic tube furnace. All of the observed spectra were simultaneously subjected to a least-squares analysis to obtain molecular parameters in the ground, upsilon(1), upsilon(2), upsilon(3), and upsilon(2) + upsilon(3) states. The results thus obtained improved the force field and molecular structure of the HBO/DBO molecules reported in a previous study (Y. Kawashima, Y. Endo, and E. Hirota, 1989, J. Mol. Spectrosc. 133, 116-127). (C) 1998 Academic Press.

AB - The upsilon(1) and upsilon(3) bands of (DBO)-B-11 and the upsilon(1) band of (DBO)-B-10 were observed by using an infrared diode laser spectrometer. The DBO molecule was generated by an sc discharge in a mixture of BCl3, D-2, O-2, and He. As inferred previously, a strong Coriolis interaction was in fact found to take place between the upsilon(1) and upsilon(2) + upsilon(3) states, and an analysis of the observed upsilon(1) spectra, which explicitly took into account this Coriolis interaction, predicted the pure rotational transition frequencies of DBO in the upsilon(1) state. Pure rotational lines were then detected by microwave spectroscopy, confirming the validity of the infrared assignment. In the microwave experiment DBO molecules were generated by a discharge in a mixture of B2D6 and O-2. The three fundamental bands and a hoc band of (DBO)-B-11, as well as the upsilon(1) and upsilon(3) bands of (DBO)-B-10, were subsequently recorded in emission with a Fourier transform infrared spectrometer. DBO molecules were generated by the reaction of D-2 with HBO at temperatures above 800 degrees C in a ceramic tube furnace. All of the observed spectra were simultaneously subjected to a least-squares analysis to obtain molecular parameters in the ground, upsilon(1), upsilon(2), upsilon(3), and upsilon(2) + upsilon(3) states. The results thus obtained improved the force field and molecular structure of the HBO/DBO molecules reported in a previous study (Y. Kawashima, Y. Endo, and E. Hirota, 1989, J. Mol. Spectrosc. 133, 116-127). (C) 1998 Academic Press.

KW - HBO

KW - SPECTROSCOPY

M3 - Article

SN - 0022-2852

VL - 192

SP - 152

EP - 161

JO - JOURNAL OF MOLECULAR SPECTROSCOPY

JF - JOURNAL OF MOLECULAR SPECTROSCOPY

IS - 1

ER -