Vibrational analysis of 1-bromooctane

Abstract

Fourier transform infrared and Raman spectra of the organic compound 1-bromooctane have been recorded in the range 4000-400 cm^-1 and 3500-100 cm^-1, respectively. A detailed vibrational analysis in terms of assignment of the observed frequencies of this molecule for its four most probable conformations in liquid phase, having symmetries <i>C</i><i style="">_s</i>and<i> C</i><i style="">₁</i>,<i style=""></i>has been done using normal co-ordinate calculations. The force-field transferred from already studied lower chain bromo-alkanes is subjected to refinement so as to fit the observed infrared and Raman frequencies with those of the calculated ones. The potential energy distribution has also been calculated for each mode of vibration of the molecule for the most probable conformations present in its liquid phase.