Anticipating molecular polarity. II A graph-theoretical approach to Huckelpi-polarizations of non-alternant monocycles and bicycles

The problem of simply, conveniently anticipating Huckel-level polarization of non-alternant monocycles and bicycles has been solved with the aid of a new type of graph, i.e. the norgraph. Along with appropriate equations and newly devised sipoles, norgraphs provide an analytical procedure which can also be applied to planning structural modifications that will alter topolo gically induced polarity in a rational way. The accompanying paper outlines procedural changes necessary to anticipate PM3 calculated topological pola rization of non-alternant monocycles and bicycles.