A study of the structure of the nu(1)(HF) absorption band of the DH(3)DNaEuro broken vertical bar HF complex

作者：Gromova E I^*; Glazachev E V; Bulychev V P; Koshevarnikov A M; Tokhadze K G

来源：Optics and Spectroscopy, 2015, 119(3): 424-431.

DOI：10.1134/S0030400X15090106

The nu(1)(HF) absorption band shape of the CH(3)CNaEuro broken vertical bar HF complex is studied in the gas phase at a temperature of 293 K. The spectra of gas mixtures CH3CN/HF are recorded in the region of 4000-3400 cm(-1) at a resolution from 0.1 to 0.005 cm(-1) with a Bruker IFS-120 HR vacuum Fourier spectrometer in a cell 10 cm in length with wedge-shaped sapphire windows. The procedure used to separate the residual water absorption allows more than ten fine-structure bands to be recorded on the low-frequency wing of the nu(1)(HF) band. It is shown that the fine structure of the band is formed primarily due to hot transitions from excited states of the low-frequency nu(7) librational vibration. Geometrical parameters of the equilibrium nuclear configuration, the binding energy, and the dipole moment of the complex are determined from a sufficiently accurate quantum-chemical calculation. The frequencies and intensities for a number of spectral transitions of this complex are obtained in the harmonic approximation and from variational solutions of anharmonic vibrational problems.

• 出版日期2015-9