The spin-coupled picture of clamped benzenes

Abstract

Spin-coupled investigations into the clamped benzenes tris(bicyclo[2.1.1]hexano)benzene and tris(benzocyclobutadieno)benzene probe the effects of clamping groups by distinguishing between a central aromatic benzene moiety and localized π bonding in central 1,3, 5-cyclohexatriene-like rings, in terms of resonance between spin functions, orbital snapshot diagrams, and orbital overlap integrals.

Keywords:

• Clamped benzenes;
• Spin-coupled picture