Physics
Scientific paper
Jun 2010
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..confewj09l&link_type=abstract
"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec
Physics
Radicals And Ions
Scientific paper
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 °C. 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.
Bernath Peter F.
Hargreaves Robert J.
Li Gaojun
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