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BIBTEX RIS

Spectroscopic properties of BH, BF, and HBF+ calculated by SCEP-CEPA

1986; Elsevier BV; Volume: 118; Issue: 1 Linguagem: Inglês

10.1016/0022-2852(86)90225-0

ISSN

1096-083X

Autores

Peter Botschwina,

Tópico(s)

Atmospheric Ozone and Climate

Resumo

Spectroscopic properties for BH, BF, and HBF+ have been calculated by SCEP-CEPA. Equilibrium bond lengths of re(BH) = 1.1736 Å and Re(BF) = 1.2085 Å were predicted for HBF+. The frequency of the rotational transition 1-0 of H11BF+ was predicted at 72 676 ± 100 MHz. The calculated vibrational frequencies of H11BF+ (in cm−1) are: ν1 = 2770, ν2 = 714, and ν3 = 1629. The ν3 band is very strong with Γ(ν3) = 12 273 cm2 mol−1 and the ν1 band is weaker by a factor of 15.

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