The analysis of the band structure in ν

In this paper the rovibrational gas phase infrared spectrum of the ν1 (H-F stretching vibration) in the HCN...HF complex is analyzed.The progression of hot transitions ν1 + nν7 - nν7 for n ≤ 6 is separated and anharmonical constants X17 = 4.20(5) cm-1, y177 = 0.076(4) cm-1 are determined. The constant X14 = 8.64(5) or 8.42(5) cm-1 in case of strong or weak Fermi resonance ν4 ≃ 2ν7

Theoretical vibrational study of hydrogen-bonded complexes : a simple anharmonical model

A simple anharmonical model is proposed to reconstruct the stretching fundamental and overtone bands in linear XH...Y hydrogen-bond systems. Both mechanical and electrical anharmonicities of stretching motions XH and XY are introduced. This model explains the experimental temperature dependence of anharmonical constant x11