Reliable structures and energetics for two new delocalized π⋯π prototypes: cyanogen dimer and diacetylene dimer†‡
Abstract
Two new prototype delocalized π⋯π complexes are introduced: the dimers of C–C
N)2, and diacetylene, (HC
C–C
CH)2. These dimers have properties similar to larger delocalized π⋯π systems such as