ELECTRONIC STRUCTURE AND KINETIC BEHAVIOR OF 4-(CYCLOHEPTATRIENYLIDENE)CYCLOHEXA-2,5-DIENONE (OR QUINAREN-9-ONE) AND ITS DERIVATIVES

Article abstract of DOI:10.1016/S0040-4039(01)91152-9

The conjugative interaction between the two terminal groups in title quinarenone 2 and its chloro- and methoxy-derivatives were evaluated, proving that the diatropicity of the seven-membered ring is a little larger in 2 than in tropone.Some of these quinarenones are also found to exist in equilibrium with their oligomers and show unexpectedly low barriers of rotation about the intercyclic bond.