Knowledge Bank

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 $1450\; ^irc\}$C. Our spectra of the HBO molecule in the $1200-4000$ cm$\mathrm{<mrow\; data-mjx-texclass="ORD">-1</mrow>}$ 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$\mathrm{<mrow\; data-mjx-texclass="ORD">-1</mrow>}$ region contains the fundamental bands of both isotopic species, $\mathrm{<mrow\; data-mjx-texclass="ORD">11</mrow>}$BO, $\mathrm{<mrow\; data-mjx-texclass="ORD">10</mrow>}$BO, and one hot band of the main isotopologue $\mathrm{<mrow\; data-mjx-texclass="ORD">11</mrow>}$BO. The fundamental band of $\mathrm{<mrow\; data-mjx-texclass="ORD">11</mrow>}$BO 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.