Donor-acceptor interaction and fullerene C60 dimerization

Fullerene dimerization is governed by a donor-acceptor-complicated intermolecular interaction between monomer molecules. The reaction features are connected with a two-well structure of the ground state energy term. Analyzing characteristics of the term, proven by quantum-chemical calculations of the C60 + C60 binary systems at different starting intermolecular distances, mechanisms of both physically and chemically stimulated dimerization are suggested.