The nature of the boron-carbon double bond in 2,4-diboramethylenecyclopropane

The structure of the title compound has been determined by means of ab initio SCF theory using a double-zeta plus polarization basis set. A very unusual, nearly bicyclic geometry has been found as global minimum, which contains a strong boron-carbon double bond. The results of theoretically determined vibrational frequencies and IR intensities are reported and provide useful information on the structure and topomerization processes of 2,4-diboramethylenecyclopropane.