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Comparative analysis of scaled entropies and topological properties of triphenylene-based metal and covalent organic frameworks

Micheal Arockiaraj, Zahid Raza, Aravindan Maaran, Jessie Abraham, and Krishnan Balasubramanian

Department of Mathematics, Loyola College, Chennai, India

 

E-mail: marockiaraj@gmail.com

Received: 2 December 2023  Accepted: 28 December 2023

Abstract:

The burgeoning interest in porous nanoscale two-dimensional materials in recent years is driven by their remarkable properties, especially in the realm of energy, material transport, sequestration and storage. Metal and covalent organic frameworks are crystalline porous materials, drawing significant attention not only for their intrinsic properties but also for the potential of integrating them with other materials to create hybrid novel frameworks with enhanced functionalities. In this paper, we undertake a comprehensive exploration of the utilization of graph entropies and topological descriptors. This includes newly formulated hybrid indices derived from geometric, harmonic, and Zagreb descriptors applied to two variants of hexatriphenylene, integrated with metal and covalent organic frameworks. Additionally, we conduct a scaled, bond-wise comparative analysis between the metal and covalent frameworks, which provides sophisticated tools to compare the latent entropies and topologies of the two frameworks.

Keywords: Topological indices; Triphenylene; Metal organic frameworks; Covalent organic frameworks; Transition metal-based networks; Graph entropies

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-023-03295-0

 

Chemical Papers 78 (7) 4095–4118 (2024)

Thursday, June 20, 2024

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