Topological indices of line graph of transition metal tetra cyano benzene organic network

Abstract

The molecular graph theory is one of the essential tools for developing and constructing molecular structure. In particular, using topological invariant, which is a numerical descriptor of molecular graph, has become widespread in predicting physical properties. Topological indices provide knowledge about the overall form of molecular graphs, particularly various degree-based topological indices. This research paper focuses on the first and second Zagreb index and their coindices for the line graph of a transition metal-organic network. The network, denoted by $L(\mathrm{TM}-\mathrm{TCNB})$, comprises the transition metals Ti,  V,  Cr,  Fe,  Co,  Ni,  Cu or Zn, and the TCNB ligand. The line graph of a network is a graph that represents the connections between the edges of the original network. The Zagreb indices are widely used to describe the molecular graph's shape and structure. The paper highlights the importance of these indices in modelling the chemical properties of the transition metal-organic network. The study results show that the Zagreb indices and their coindices strongly correlate with several physical characteristics, for instance the boiling points, melting points, and density of the network.

GRAPHICAL ABSTRACT

Keywords:

• Line graph
• topological indices
• Zagreb type indices
• metal-organic networks (TM–TCNB)

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

The authors acknowledge the financial support from Taif University Researchers Supporting Project Number (TURSP- 2020/136), Taif University, Taif, Saudi Arabia.