An analysis of the 17 -4 difference bands near 800 cm Ϫ1 of two isotopic species, 10 B 2 H 6 and 11 B 2 H 6 , of diborane has been carried out using infrared spectra recorded with a resolution of ca. 0.003 cm Ϫ1 . In addition, the 17 band of 10 B 2 H 6 has been recorded and assigned. Since this band
High-Resolution Infrared Study of the ν14, ν17, and ν18Bands of11B2H6and10B11BH6
✍ Scribed by R.L. Sams; T.A. Blake; S.W. Sharpe; J.-M. Flaud; W.J. Lafferty
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 257 KB
- Volume
- 191
- Category
- Article
- ISSN
- 0022-2852
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✦ Synopsis
Using high-resolution Fourier transform spectra, a thorough analysis of the 14 c-type, 17 a-type, and 18 a-type bands of both 11 B 2 H 6 and 10 B 11 BH 6 has been carried in the 10.3-, 6.2-, and 8.5-m spectral regions, respectively. From this analysis a large set of precise ground state combination differences with J values up to 36 (31) and K a values extending to 18 (18) was derived for 11 B 2 H 6 ( 10 B 11 BH 6 ). These data were fitted using a Watson-type Hamiltonian leading to accurate ground state rotational constants. An r s value for the B-B distance has been determined to be 1.7645(10) Å. The determination of upper state Hamiltonian constants proved to be much more difficult since the corresponding rotational levels of each of the bands are strongly perturbed by nearby dark states. To account for these strong localized resonances, it was necessary to introduce the relevant interacting terms in the Hamiltonian matrix. As a result it was possible to calculate the upper state energy levels quite satisfactorily. From these fits, estimates of the band centers and a few of the rotational constants of the resonating dark states were obtained.
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