Structure and properties of non-classical polymers.: Part XII: A new family of high-spin polycyclic 1-D systems Original Research Article

The magnetic properties of a new class of 1-D high-spin polycyclic aromatic polymers were studied theoretically. It was found that the electrons within the half-filled band of non-bonding MOs (NBMO) are ferromagnetically coupled. The direct (Coulomb) exchange determined by the topology of the polymers is the main component of the effective Heisenberg exchange integral. A new concept for viewing high-spin π-systems in terms of point defects (vacancies) in quasi 1-D graphites and polycyclic hydrocarbons was developed. The NBMOs can be considered as surface or Tamm states.