Theoretical and experimental studies on the structure and isomerization of isocyano and cyano cyclopolyenes

Article abstract of DOI:10.1134/S1070428008100096

Quantum-chemical calculations in terms of the density functional theory showed that cyclopolyenyl isocyanides RNC are considerably less stable than the corresponding cyanides and that they are capable of undergoing RNC → RCN isomerization according to bot