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First High-Resolution Infrared Observation of the Symmetry-Forbidden ν5 Band of 10B2H6

✍ Scribed by J.-M. Flaud; Ph. Arcas; W.J. Lafferty; H. Bürger; G. Pawelke

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
161 KB
Volume
203
Category
Article
ISSN
0022-2852

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✦ Synopsis

Spectra of 10 B monoisotopic diborane, B 2 H 6 , have been recorded at high resolution (2-3 ϫ 10 Ϫ3 cm Ϫ1 ) by means of Fourier transform spectroscopy in the region 700 -1300 cm Ϫ1 . A thorough analysis of the 18 a-type, 14 c-type, and 5 symmetryforbidden band has been performed. Of particular interest are the results concerning the 5 symmetry-forbidden band, which is observed only because it borrows intensity through an a-type Coriolis interaction with the very strong 18 infrared band located approximately 350 cm Ϫ1 higher in wavenumber. The 5 band has been observed around 833 cm Ϫ1 and consists of a well-resolved Q branch accompanied by weaker P-and R-branch lines. Very anomalous line intensities are seen, with the low K a transitions being vanishingly weak, and Raman-like selection rules observed. The determination of the upper state Hamiltonian constants proved to be difficult since the corresponding energy 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. As a result the upper state energy levels were calculated satisfactorily, and precise vibrational energies and rotational and coupling constants were determined. In particular the following band centers were derived: 0 ( 5 ) ϭ 832.8496(70) cm Ϫ1 , 0 ( 14 ) ϭ 977.57843(70) cm Ϫ1 , and 0 ( 18 ) ϭ 1178.6346(40) cm Ϫ1 . (Type A standard uncertainties (1) are given in parentheses.

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