ABSTRACT
A. N. Dharamsi and J. Tulip, "A CNDO/S investigation of contact charge transfer complexes of some organic molecules with Oxygen", Chemical Physics Letters,71,224,1980.


A CNDO/S study of some contact charge transfer complexes involving the oxygen molecule in an acceptor role shows charge-tranfer stablization during randomly oriented collisions, in agreement with Mulliken's experimental work. Relevant donor and acceptor orbitals are identified and relative positions of experimental bands are reproduced.

Back to Research Related to Large Molecular Excimer Lasers