On Thermodynamic Properties of Circumacenes Through Zagreb Indices

TL;DR

This paper investigates the thermodynamic properties of Circumacenes by calculating Zagreb indices and related topological indices, demonstrating their usefulness in predicting properties like gap energy and electron affinity through a novel Topological Indices Method.

Contribution

It introduces a new approach, the Topological Indices Method, to relate Zagreb indices of Circumacenes to their thermodynamic properties.

Findings

Calculated Zagreb and generalized indices for Circumacenes.

Established relationships between indices and thermodynamic properties.

Proposed the Topological Indices Method for property prediction.

Abstract

We explore the fascinating world of Circumacenes, a unique family of organic molecules. Our research demonstrarates the calculation of essential topological indices, including the first and second-Zagreb indices, as well as related generalized indices, and their relationship with the structure of these molecules. We also indicate how these indices can help predict crucial thermodynamic properties, such as gap energy and electron affinity energy, using an innovative method called the Topological Indices Method (TIM).