Abstract
Near-equilibrium potential energy surfaces for HBF+ isotopologues, obtained from high-level calculations beyond fc-CCSD (T), are employed in variational calculations for many rovibrational states. Calculated effective spectroscopic parameters are in excellent agreement with available experimental data and many predictions are being made, also for line intensities. The band origin of the bending vibration of H11BF+ is predicted at 730.7cm-1. Combining a difference-frequency system with glow discharge and a discharge modulation scheme, six and seven lines of the ν1 bands for H11BF+ and H10BF+, respectively, were observed. Together with data obtained from microwave spectroscopy the spectroscopic constants of ν1 could be derived through least-squares fitting.
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