AB-INITIO CALCULATIONS ON THE O-BENZYNE AR AND O-BENZYNE CO COMPLEXES

Van der Waals complexes of o-benzyne with carbon monoxide and with arg on have been studied ab initio. In both cases ''sandwich'' structures were found to be more stable than planar structures. From the order of stability of the planar structures it was concluded that the classica l description of the distorted triple bond in o-benzyne is not fully v alid, and it is believed that one must also consider the biradical cha racter of the triple bond in o-benzyne.