Physical Correlation of Topological Indices of Transition Metal Tetra-Cyano Benzene Structure Using Curve Fitting

Molecular graph theory is crucial in model development and design of any molecular topologies. The mathematical polynomials of chemical graphs are called topological indices and they are highly valuable for determining their physicochemical characteristics. In this manuscript, we have developed the...

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Bibliographic Details
Published in:Polycyclic aromatic compounds 2023-09, Vol.43 (8), p.7518-7530
Main Authors: Qasim, Muhammad, Shaker, Hani, Zobair, Mian Muhammad
Format: Article
Language:English
Subjects:
Benzene
Curve fitting
Entropy
Ferromagnetism
Graph theory
Heat of formation
Metal-organic frameworks
Metals
Molecular structure
Polynomials
Tetra-cyano benzene
Topology
Transition metals
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Summary:Molecular graph theory is crucial in model development and design of any molecular topologies. The mathematical polynomials of chemical graphs are called topological indices and they are highly valuable for determining their physicochemical characteristics. In this manuscript, we have developed the physical relationship between heat of formation (and entropy) and topological indices using curve fitting method of innovative planar metal-organic frameworks - Surprisingly, the - frameworks are basically metals in every respect inside 1-turn heading and ultimately exhibit ferromagnetic coupling to appealing nanostructures, implying ideal candidates and a novel promise of unusual electromagnetic applications.
ISSN:1040-6638
1563-5333
DOI:10.1080/10406638.2022.2137535