Structural Relationship Between Randić Indices, Adjacency, Distance Matrixes and Molar Absorption Coefficient of Linear Conjugated Polyene Compounds

Abstract

One of the useful indices in molecular topology is Randić index. The alternative double bonds and<br />conjugation in the polyene compounds are one of the main properties in these compounds. Some<br />of the molecular orbital and structural properties refer to this specialty, such as: molar absorption<br />coefficient (εmax) , electrical conductivity and difference energy level of the HOMO and LUMO<br />orbitals, etc. Here, the relationship of the structural topologies such as the Randić indices,<br />adjacency and distance matrixes to molar absorption coefficient (εmax) of the linear conjugated<br />polyenes was represented. For calculation the εmax of the compounds could use the Fiser-Kuhn<br />rule. The interesting results of concerning amoung εmax and the above indices are presented.