Reverse-degree-based topological indices of fullerene cage networks

Abstract

Totally made of carbon atoms, fullerene is a spherical molecule with a three-dimensional pattern like a soccer ball. The most prevalent kind of fullerene is C60, which has 60 carbon atoms organised in a pattern like that of a soccer ball (12 pentagons and 20 hexagons). The carbon atoms are connected by a web of covalent connections to form what is known as a truncated icosahedron. The fullerene molecule's spherical form makes it beneficial in many applications, including medication delivery, lubricants, and even as a possible component of nanotechnology. Topological indices or numerical descriptors have been used for decades to connect essential physicochemical parameters with significant molecular structural features including cyclicity, boiling and melting point, and enthalpy for a range of two- along with three-dimensional in form chemical arrangement networking or graphs. The valency of atom-based numerical descriptors in this study are computed using the valency of atom in a chemical network or structure of the molecular investigation. In chemoinformatics, the numerical descriptors based on the degree of defined by reverse-degree concept technique is a more newly developed methodology for evaluating chemical systems and geometries. It draws attention to molecular traits as numerical descriptors based on the degree of defined by reverse-degree concept and presents numerical descriptors in algebraic form. In this work, we describe several fullerene cages as numerical descriptors based on the degree of defined by reverse-degree concept and compute a number of numerical descriptors based on the degree of defined by reverse-degree concept, such as the Randić index, atom-bond-connectivity, geometric arithmetic, forgotten, hyper, first and second Zagreb indices are computed.

GRAPHICAL ABSTRACT

Keywords:

• Fullerene structures
• cage-like structure
• fullerene cages
• numerical descriptors based on the degree of defined by reverse-degree concept
• topological index

Disclosure statement

No potential conflict of interest was reported by the author(s).