Abstract
A static gas phase far infrared spectroscopic investigation of seven hot bands involving the intermolecular bend ν 1 7 in the hydrogen-bonded species HCN-HF has been performed. The information obtained from a rovibrational analysis of these hot bands is combined with previously available microwave and infrared spectroscopic data to reinvestigate Fermi resonance interactions of 2 ν 0 7 with ν 4 and 3 ν 1 7 with ν 4 + ν 1 7. Corresponding Fermi resonance shifts of 2.31(5) cm −1 and 3.04(9) cm −1 were calculated respectively. Anharmonic constants x 77 = − 1.228(3) cm −1 and g 77 = 1.136(3) cm −1 were also determined and compared with values of value of x 77 = − 2.29 cm −1 and g 77 = 1.06 cm −1 evaluated by Amos [R.D. Amos, J.F. Gaw, N.C. Handy, E.D. Simandiras and K. Somasundram, Theoret. Chim. Acta, 71 (1987) 41] from an ab initio calculation.
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