Association of radical anions alkali metal cations. III. Experimental and theoretical study of the associates of nitrobenzene radical anions with Li+, Na+, K+, Cs+ and (n-C4H9)4N+ cations

Abstract

The nitrobenzene radical anion prepared by electrolysis was studied by UV spectroscopy. Formation of associates with Li+, Na+, K+, Cs+ and n(C4H9)4N+ cations was examined. It has been found that associates are also formed in a polar medium such as dimethylformamide. The enthalpy of the associated-free ion equilibrium was estimated as being equal to 6+4 kJ/mol-1. The quantum-chemical LHP method (in the π-approximation) was employed to study a simple ion pair model used for calculation of the most stable geometrical structure.