ISOCYANIDES AS HYDROGEN-BOND ACCEPTORS

A theoretical study of the capability of hydrogen isocyanide (HNC) as a hydrogen bond acceptor has been carried out. The geometry, interacti on energy and electronic properties of the corresponding complexes wit h HF, HCl, HBr, H2O, NH3, HCCH, HCN and HNC itself indicate that it is able to form strong hydrogen bonds. A search in the Cambridge Structu ral Database has shown the presence of isocyanides involved in hydroge n bonds in solid phase. Finally, the comparison of the properties of H NC with its isomer, hydrogen cyanide, shows strong similarities betwee n both compounds.