STABILITY AND VIBRATIONAL-SPECTRA OF ION-PAIRS FORMED BY [CN-] AND [NO-] WITH [LI+] AND [NA+]

MP2, MP4 and CID calculations are reported for the linear and bent str uctures found throughout the potential energy surface scanning of the ion pairs formed by [CN-] and [NO-] with [Li+] and [Na+]. The stabilit y of each stationary point, corresponding to the isomers [M(+)][NC-] a nd [M(+)][CN-] and [M(+)][NO-] and [M(+)][ON-]([M(+)] = [Li+] and [Na]), is discussed and the theoretical vibrational spectra are compared with the experimental results. The study includes are investigation of the energy surface of the [Li+][NO2-] ion pair.