Topological Characterization of Coronoid Structures via Valency Based Topological Indices

• Published in: Combinatorial chemistry & high throughput screening
• Main Authors: Masood Ur Rehman, Salman, Muhammad, Iqbal, Javaria
• Format: Journal Article
• Language: English
• Published: United Arab Emirates 02.10.2024
• Subjects: topological index; 05C92; AMS subject classification numbers: 05C09; coronoid structure; Valency
• ISSN: 1875-5402
• DOI: 10.2174/0113862073328860240910103148

The number of atoms producing a bond with an atom a in a molecular structure (graph) is regarded as the valency of a. A number of molecular structures have been topologically characterized via a large number of valency-based topological indices, which correlate certain physio-chemical properties like boiling point, stability, strain energy, and many more chemical compounds. Our intention is to perform the topological characterization of primitive coronoid structures initially on the base of seven different valency-based topological indices. Fundamentally, our purpose is to provide the universal formula by using the topological characterization of any primitive coronoid structures with any valency-based topological index. The technique of atom-bonds partitions according to the valency of atoms besides counting principals are used to find the results. Exact values of valency-based topological index, namely the Randic index, sum connectivity index, harmonic index, atom bond connectivity index, geometric arithmetic index, forgotten index, and symmetric division index are calculated coronoid structures initially constructed with at most three benzene lyres. All these indices are valency-dependent structural invariants that have been used to elaborate several chemical properties of compounds of the structure. Moreover, we provide the general formula to compute any valency-based topological index for any type of coronoid structure constructed with any number of benzene lyres.