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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2002

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Ohio State University

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The reactive F2BOH molecule was first detected by microwave spectroscopya, and very recently observed by matrix IR spectroscopyb. We report here the first high resolution infrared study of F2BOH. F2BOH has been produced in a slow flow of (11B and natural) BF3 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 400cm−1 to 1600cm−1 at high resolution (2−3×10−3cm−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 Lillec. Among the recorded infrared bands, two c-type out-of-plane fundamental bands v8(BF2 bend) and v9 (OH torsion) located at 684.16cm−1 and 522.86cm−1, respectively, were analysed using a simple Watson -type Hamiltonian. The a/b type hybrid 2ν9 and ν4 bands centered at 1042.87 and 961.49cm−1 were also studied. The analysis of ν4 (OH bending mode) was complicated by the existence of ``classical'' vibrational rotational resonances linking the 41 energy levels with those of the 7191 dark overtone state. More surprising is the fact that both in the 2ν9 and ν4 bands, the P- and R-lines exhibit a regular doublets structure (of about 0.005 and 0.003cm−1 respectively) which indicates the existence of large amplitude motions in the F2BOH molecule.

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aH. Takeo and R. F. Curl, J. Chem. Phys. 56, 4314 (1972) bM. E. Jacox, K. K. Irikura, and W. E. Thompson, J. Chem. Phys.113, 5705 (2000) cJ. 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

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