ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Degree-based topological insights and graph entropies of Kagome lattice covalent organic frameworks

Micheal Arockiaraj, Joseph Jency, Arul Jeya Shalini, and Krishnan Balasubramanian

Department of Mathematics, Loyola College, Chennai, India

E-mail: marockiaraj@gmail.com

Received: 16 September 2024  Accepted: 13 October 2024

Abstract:

Covalent organic frameworks (COFs) represent a class of crystalline porous materials that have captured significant interest across various fields due to their high surface area and tunable pore size. The Kagome lattice COFs are a two-dimensional network of interconnected triangles with hexagonal patterns that provide an excellent platform for designing materials with tailored porosity. We provide insights into their network connectivity through degree-based topological indices that facilitate the predictions of physicochemical properties, biological activities, and network transformations during phase transition phenomena. In this study, we analyze Kagome lattice COFs by computing their topological indices and entropies by considering three types of organic linkers using bond partitioning techniques and regression models. Furthermore, we derive quantitative expressions for topological index-based entropies to elucidate the order/disorder structural complexities of these COFs.

Keywords: Kagome lattices; Covalent organic frameworks; Topological indices; Entropies of phase transformations

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-024-03743-5

Chemical Papers 79 (1) 135–157 (2025)