A Fermi resonance study in (HCN)-C-12-N-14-(HF)-F-19 based on gas phase far infrared spectroscopy Academic Article uri icon

abstract

  • A static gas phase far infrared spectroscopic investigation of seven hot bands involving the intermolecular bend 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 27/0 with 4 and 37/1 with 4 + 7/1. Corresponding Fermi resonance shifts of 2.31(5) cm-1 and 3.04(9) cm-1 were calculated respectively. Anharmonic constants 77 = - 1.228(3) cm-1 and g77 = 1.136(3) cm-1 were also determined and compared with values of value of 77 = -2.29 cm-1 and g77 = 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.

published proceedings

  • JOURNAL OF MOLECULAR STRUCTURE

author list (cited authors)

  • McIntosh, A. L., Gallegos, A. M., Lucchese, R. R., & Bevan, J. W.

citation count

  • 6

complete list of authors

  • McIntosh, AL||Gallegos, AM||Lucchese, RR||Bevan, JW

publication date

  • September 1997