DOI: 10.1007/s11224-011-9799-7

Conformational analysis of N,N'-dinaphthyl heterocyclic carbenes: imidazol-2-ylidenes and imidazolin-2-ylidenes

The paths connecting the stationary points of tesseract (four-dimensional hypercube) have been explored. The minimum energy conformations and the different transition states of N,N′-dinaphthyl imidazol-2-ylidenes and imidazolin-2-ylidenes have been calculated. The available experimental results were conveniently reproduced. The dimerization of carbenes to enetetramines has also been calculated.