Two-dimensional coronene fractal structures: topological entropy measures, energetics, NMR and ESR spectroscopic patterns and existence of isentropic structures

Molecular fractals are geometric patterns that appear self-similar across all length scales and constructed by repeating a single unit on regular basis. The benzenoid compounds found to have natural pattern helps analyse explore the potential attributes of these molecular fractals. Here, we focus coronene-based where coronene is molecule with symmetric graphite-like structure challenging synthesis methods. Topological descriptors obtained in order provide structure-activity relations for physico-chemical properties. We obtain fixed different stages systematically. structural characterisation two-dimensional various tessellations presented through wide range degree-based topological indices. entropy measures significant frameworks also computed estimating their attributes, comparison values among indices performed, which shows existence isentropic structures. developed machine learning techniques robust computations enthalpies, NMR ESR spectroscopic