On physical analysis of phthalocyanine iron (II) using topological descriptor and curve fitting models.

Autor: Hanif MF; Department of Mathematics and Statistics, The University of Lahore, Lahore Campus, Lahore, Pakistan., Mahmood H; Department of Mathematics, Government College University, Lahore, Pakistan., Ahmad S; Abdus Salam School of Mathematical Sciences, Government College University, Lahore, Pakistan., Fiidow MA; Department of Mathematical Sciences, Faculty of Science, Somali National University, Mogadishu Campus, Mogadishu, Somalia. m.fiidow@snu.edu.so.
Jazyk: angličtina
Zdroj: Scientific reports [Sci Rep] 2024 Aug 10; Vol. 14 (1), pp. 18611. Date of Electronic Publication: 2024 Aug 10.
DOI: 10.1038/s41598-024-69517-x
Abstrakt: A new area of applied chemistry called chemical graph theory uses combinatorial techniques to explain the complex interactions between atoms and bonds in chemical systems. This work investigates the use of edge partitions to decipher molecular connection patterns. The main goal is to use topological indices that capture important topological features to create a connection between the thermodynamic properties and structural characteristics of chemical molecules. We specifically examine the complex web of atoms and links that make up the Fe phthalocyanine chemical graph. Moreover, our study demonstrates a relationship between the calculated topological indices and the thermodynamic properties of Fe phthalocyanine (Phthalocyanine Iron (II)). This work offers insight into the thermodynamic consequences of molecule structures. It advances the subject of chemical graph theory, providing a useful perspective for future applications in catalysis and materials science.
(© 2024. The Author(s).)
Databáze: MEDLINE
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