Ab initio SCF (self-consistent field) and Cl (configuration interaction) calculations on the 1 'B, and I 'B, states of (BH,)+ have been performed. The geometries, vibrational and rotational constants, as well aa the dissociation energies for optimized equilibrium geometries, are compare-d with DIM (
Emission Spectroscopy of the Triplet System of the BH Radical
β Scribed by C.R. Brazier
- Book ID
- 102974132
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 575 KB
- Volume
- 177
- Category
- Article
- ISSN
- 0022-2852
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β¦ Synopsis
The b 3 S 0 -a 3 P system of BH has been extensively characterized by emission spectroscopy using a CESE source. Vibrational levels up to Β£ Γ 8 in the b 3 S 0 and Β£ Γ 7 in the a 3 P state were observed, allowing construction of RKR potential curves covering almost 80% of the well depths. Dissociation energies were estimated from the observed vibrational levels using the near-dissociation extrapolation method. Comparison of the extrapolated curves with theoretical calculations resulted in the following best estimates for the dissociation energies: a 3 PD e Γ 19 250 cm 01 , b 3 S 0 D e Γ 20 960 cm 01 . The BH singlet-triplet separation is estimated to be 10 410 cm 01 . The recently observed predissociation of the b 3 S 0 state was too weak to be detected.
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