ABSTRACT

Hückel theory is the first in tro d u c e d ,a n d the simplest,"^ form of the molecular orbital theory of conjugated molecules.^ Since its inception, Hückel theory has been rather successfully used, on a qualitative level, as a guide for chemists in planning and interpreting ex p erim en ts .A ttrac tiv e features of Hückel theory for experimental chemists are its simplicity and limited computational efforts. The last two decades have produced a number of results which indicate that the successful longevity of Hückel theory is based on the fact that this theory contains intrinsic information about the internal connec­ tivity in the conjugated systems, i.e ., it reflects the neighborhood of the atoms in conjugated s t r u c t u r e s . T h i s chapter will be concerned with the con­ nection between Hückel theory and the topology of the molecular ir-network.