A quantitative topological descriptor for linear co-oligomer fusion

Chem Commun (Camb). 2018 Jun 26;54(52):7235-7238. doi: 10.1039/c8cc03156h.

Abstract

A purely topological descriptor for the quantitative classification of fully or partially fused linear quasi-one dimensional centre-symmetric molecules is proposed. The index also makes it possible to quantitatively correlate optoelectronic properties with the molecular topology without involving an explicit calculation of the molecular electronic structure.