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ANALYSIS OF THE FIRST HIGH RESOLUTION FTS INFRARED SPECTRA OF $F_{2}^{11}$BOH: THE $\nu_{8}, \nu_{9} 2\nu_{9}$ AND $\nu_{4}$ BANDS.

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Title: ANALYSIS OF THE FIRST HIGH RESOLUTION FTS INFRARED SPECTRA OF $F_{2}^{11}$BOH: THE $\nu_{8}, \nu_{9} 2\nu_{9}$ AND $\nu_{4}$ BANDS.
Creators: Perrin, A.; Flaud, J.- M.; Bürger, H.; Collet, D.; Demaison, J.
Issue Date: 2002
Publisher: Ohio State University
Abstract: The reactive $F_{2}$BOH molecule was first detected by microwave $spectroscopy^{a}$, and very recently observed by matrix IR $spectroscopy^{b}$. We report here the first high resolution infrared study of $F_{2}BOH$. $F_{2}$BOH has been produced in a slow flow of ($^{11}$B and natural) $BF_{3}$ through a glass tube filled of some specks of quartz (all using stainless stell equipment) on which water had been deposited. The IR spectrum has been recorded from $400 cm^{-1}$ to $1600 cm^{-1}$ at high resolution $(2-3 \times 10^{-3} cm^{-1})$ using the Wuppertal Bruker 120 HR interferometer equipped with a cell of 1.2 m path length. In addition, ground state parameters have been determined from recent microwave measurements performed in $Lille^{c}$. Among the recorded infrared bands, two c-type out-of-plane fundamental bands $v_{8} (BF_{2}$ bend) and $v_{9}$ (OH torsion) located at $684.16 cm^{-1}$ and $522.86 cm^{-1}$, respectively, were analysed using a simple Watson -type Hamiltonian. The a/b type hybrid $2\nu_{9}$ and $\nu_{4}$ bands centered at 1042.87 and $961.49 cm^{-1}$ were also studied. The analysis of $\nu_{4}$ (OH bending mode) was complicated by the existence of ``classical'' vibrational rotational resonances linking the $4^{1}$ energy levels with those of the $7^{1}9^{1}$ dark overtone state. More surprising is the fact that both in the $2\nu_{9}$ and $\nu_{4}$ bands, the P- and R-lines exhibit a regular doublets structure (of about 0.005 and $0.003 cm^{-1}$ respectively) which indicates the existence of large amplitude motions in the $F_{2}$BOH molecule.
Description: $^{a}$H. Takeo and R. F. Curl, J. Chem. Phys. 56, 4314 (1972) $^{b}$M. E. Jacox, K. K. Irikura, and W. E. Thompson, J. Chem. Phys.113, 5705 (2000) $^{c}$J. Demaison, J.F.D'Eu et al. private communication
Author Institution: Laboratoire de Photophysique Mol\'{e}culaire, CNRS, Universit\'{e} Paris Sud; Anorganische Chemie, FB 9, Universit\""{a}t-Gesamthochschule; Laboratoire PhLAM, CNRS, Universit\'{e} de Lille I
URI: http://hdl.handle.net/1811/20694
Other Identifiers: 2002-WH-02
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