Ab Initio Calculation of Some Parent Quinone Structures
MetadataShow full item record
There has been considerable biological interest through the last few years in the chemical nature of semiquinones. Semiquinones are alicyclic compounds with conjugated bond systems provided by two double bonds in a six membered ring and two carbon-oxygen double bonds. Their uniqueness comes in part from their ability to function as electron acceptors and to form charge transfer complexes. This study was undertaken, attempting to search for chemical trends in the parent compounds of these structures. As well as these hydrogen species, a study of the effect of fluorination upon these compounds Is expedient owing to the interesting influence fluorine atoms have upon transient species. Much experimental evidence on these semiquinones and their fluorine derivatives has been accumulated and this project Intends to compare theoretical values with those of experiment. Finally some conclusions will be drawn to compare with the evidence given by others.