ABSTRACT: Using high resolution Fourier transform spectra, a thorough analysis of the nu14 c-type, nu17 a-type and nu18 a-type bands of both 11B2H6 and 10B11BH6 has been carried in the 10.3, 6.2 and 8.5 um spectral regions, respectively. From this analysis is a large set of precise ground state combination differences with J values up to 36 (31) and Ka values extending to 18 (18) was derived for 11B2H6(10B11BH6). These data were fitted using a Watson-type Hamiltonian leading to accurate ground state rotational constants. An rs value for the B--B distance has been determined to be 1.7645(10) A. The determination of upper state 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.
Revised: February 7, 2003 |
Published: October 1, 1998
Citation
Sams R.L., T.A. Blake, S.W. Sharpe, J. Flaud, and W.J. Lafferty. 1998.High Resolution Infrared Study of the nu(14), nu(17) and nu(18) bands of (B2H6)-B-11 and (BBH6)-B-10-B-11.Journal of Molecular Spectroscopy 191, no. 2:331-342.PNNL-SA-29763.