Theoretical studies on the charge transfer complexes of aromatic hydrocarbons with chloranil

9B/1, South Sinthi Road, Kolkata-700 050, India 108, Manicktala Main Road, Block 2, Flat-14, Kolkata-700 054, India Manuscript received 8 June 2005, accepted 12 July 2005 Molecular orbital and molecular mechanics calculation have been done to obtain informations about some general physicochemical proportion of charge transfer complexes of benzene, naphthalene and anthracene with chloranil. The semiemperical quantum chemical programme MOPAC and the AMI1,2 method has been used