AN INTERMOLECULAR POTENTIAL FOR (O-2)2 INVOLVING O-2(1-DELTA-G)

A theoretical interaction potential for the (O2)2 dimer involving O2(1DELTA(g)) has been constructed following the methodology previously used to characterize the [O2(3SIGMA(g)-]2 dimer [J. Chem. Phys. 99 (1993) 1230]. Potential energy curves are presented for the dimer states dissociating into O2(3SIGMA(g)-) + O2(1DELTA(g)) and O2(1DELTA(g)) + O2(1DELTA(g)). Binding energies and splittings have been evaluated for the neutral states of the dimer in various geometries. Present results are discussed relative to the ground state monomer interactions. Angular distributions and potential wells for the states dissociating into [O2(1DELTA(g)]2 or O2(3SIGMA(g)-) + O2(DELTA(g)) have been found similar to those of the states dissociating into [O2(3SIGMA(g)-)]2.