15min:

G. LI, R. J. HARGREAVES AND P. F. BERNATH, Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK.

The Fourier-transform infrared emission spectra of HBO and BO were recorded using a Bruker IFS-125HR Fourier transform spectrometer. HBO molecules were synthesized using a high temperature tube furnace at 1450 ^\circC. Our spectra of the HBO molecule in the 1200-4000 cm^-1 region contain the v₁ and v₃ fundamental vibrational modes plus numerous hot bands. An accurate potential energy surface using the MRCI method with correlation consistent core-valence basis sets aug-cc-PCVnZ (n=3, 4, 5) is being calculated and a vibrational configuration interaction (VCI) calculation based on this surface will be performed to assist in the assignment of the HBO hot bands. BO molecules were produced by applying a DC discharge to the furnace containing HBO. Our spectrum of BO in the 1200-2100 cm^-1 region contains the fundamental bands of both isotopic species, ¹¹BO, ¹⁰BO, and one hot band of the main isotopologue ¹¹BO. The fundamental band of ¹¹BO contains 95 lines roughly equally distributed between the P and R branches. A combined least-squares fit with ground state microwave data was performed to determine the spectroscopic constants. Further results on this ongoing project will be presented.