FTIR spectroscopy of the 2 nu(3) overtone band for different BrCN isotopomers: an improved evaluation of the anharmonic force field of cyanogen bromide
L. Bizzocchi et al., FTIR spectroscopy of the 2 nu(3) overtone band for different BrCN isotopomers: an improved evaluation of the anharmonic force field of cyanogen bromide, MOLEC PHYS, 98(8), 2000, pp. 505-511
The 2 nu(3) overtone band of six different isotopomers of cyanogen bromide
has been recorded in the range from 4200 to 4400 cm(-1) with a resolution o
f 0.02 cm(-1) using a Fourier transform infrared (FTIR) spectrometer. This
allowed us to achieve complete knowledge of the energies for all levels cor
responding to double vibrational excitation. An improved evaluation of the
quartic force field of cyanogen bromide has been performed using the new da
ta obtained together with those already known from previous works. Theoreti
cal values derived from a recent ab initio calculation have been used to co
nstrain the potential terms which cannot be determined with sufficient prec
ision by the least-squares analysis of the available experimental data.