The harmonic force field and ground-state average structure of difluoroborane |
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| Authors: | A G Robiette M C L Gerry |
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| Institution: | Department of Chemistry, The University of British Columbia, 2075 Wesbrook Mall, Vancouver, B. C. V6T 1W5, Canada |
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| Abstract: | An improved harmonic force field of difluoroborane has been calculated using the vibrational wavenumbers and quartic centrifugal distortion constants of four isotopic species. The unidentified vibrational mode ν5 is predicted at 1049 ± 50 and 775 ± 50 cm−1 for HBF2 and DBF2, respectively. The ground-state average structure of HBF2 has been found to be rz(BH) = 1.195 ± 0.003 Å; rz(BF) = 1.315 ± 0.001 Å; (FBF) = 118.0 ± 0.1°. |
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