Journal of the American Chemical Society, Vol.122, No.18, 4483-4488, 2000
The CO2-NO van der Waals complex and the covalently bonded CO2NO- anion: A matrix-isolation FTIR and theoretical study
Laser ablation of transition metal targets with concurrent 11 K deposition of NO/CO2/Ar mixture produces ON-CO2 van der Waals complex absorption at 1876.5 cm(-1) and three additional metal independent absorptions at 1713.6, 1495.8, and 1310.4 cm(-1). Based on isotopic substitution and theoretical calculations, these three bands are assigned to the antisymmetric CO2 stretching, N-O stretching, and symmetric CO2 stretching vibrations of the CO2NO- anion. Our theoretical calculation results show that the CO2NO- anion is a covalently bound molecule with coordination between the C and N atoms. The binding energy of the CO2NO- with respect to CO2 + NO- is estimated to be about 21-22 kcal/mol.