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

Document Type : Research Paper

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Abstract

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

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