Topological Descriptors of Molecular Networks via Reverse Degree

Abstract

Porphyrazine and tetrakis porphyrazine are organic compounds with intricate ring structures. They are made up of four indole rings that fuse together to form a larger cyclic structure. These structures have been extensively studied in physics and chemistry. They exhibit unique electronic and optical properties due to their highly conjugated systems. In several scientific domains, they are used as the building blocks for functional materials, molecular electronics, sensors, and catalysis. In order to derive a topological index from data, molecules are represented as graphs, with atoms acting as nodes and bonds acting as edges. There are many different techniques and algorithms that can be used to determine the topological index. We have used the reverse degree-based methodology for the mentioned structures. Reverse degree-based topological indices evaluate the structural complexity and stability of chemical compounds by adding the reversed atom degree sequence to their molecular networks. In this study, we calculated the reverse degree-based topological indices like the reverse redefined Zagreb indices, the reverse forgotten index, the reverse hyper-Zagreb index, the reverse Balaban index, the reverse atom bond connectivity index, the reverse geometric arithmetic index, and the reverse general Randić index for porphyrazine $(P_z)$ and tetrakis porphyrazine $(T{P}_z)$ networks. This research advances our knowledge of the fundamental laws of physics and chemistry by illuminating the complex interrelationships between molecular structure, biological interactions, and chemical reactivity.

Keywords:

• Reverse redefined Zagreb indices
• tetrakis porphyrazine network
• comparison
• $\check{\mathfrak{R}}{}_{\mathrm{}}$M$\overline{\hspace{1em}}{}_{\mathrm{}}$1-index
• $\check{\mathfrak{R}}$J-index
• $\check{\mathfrak{R}}$ABC-index
• $\check{\mathfrak{R}}$GA-index
• and $\check{\mathfrak{R}}$AZI-index

Ethical approval

This is the author’s original work, which has never been published or submitted anywhere.

Disclosure Statement

The author has no conflict of interest.

Data availability statement

This document contains all of the data. However, the reader may contact the corresponding author for additional information.

Additional information

Funding

This study was conducted without any outside funding or financial assistance.