STUDIES ON THE VIBRATIONAL FREQUENCIES AND INTENSITIES OF PRIMARY ALKYL RADICALS, CH3(CN2)(N)CH2 - FOR N=1-6

Extensive ab initio calculations for the vibrational frequencies and i nfrared intensities are reported for the optimized geometries of some primary alkyl radicals, CH3(CH2)(n)CH2., for n = 1-6. These are compar ed with experimental infrared spectra for the authentic radicals for n = 1-3. The theoretical calculations together with experimental data a re used to assign the characteristic absorption bands of the experimen tal vibrational spectra.