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<p>The melamine-based TriCF structures, specifically the compounds with the general chemical formula C<sub>3</sub>H<sub>6</sub>N<sub>6</sub>, belong to the triazine compound family. These covalent organic frameworks represent a novel class of materials. They are recognized for their remarkable thermal stability, layered structural design, and promising applications as synthetic lubricants. This research provides a comprehensive analysis of the topological descriptors for TriCF structures, particularly emphasizing novel neighborhood irregularity descriptors. Through the examination of degree sums in end-vertex neighborhoods and the development of novel neighborhood irregularity topological descriptor models, this study offers an optimal approach for characterizing and interpreting the structural features of triazine-based covalent organic frameworks (TriCF). The proposed topological descriptors significantly enhance our ability to classify, compare, and predict the chemical and physical behavior of molecular structures within complex systems. Moreover, the advanced graph-theoretic approach employed in this study highlights its potential in material design, offering valuable tools for optimizing the properties of melamine-based compounds in industrial applications.</p>

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On analysis of the neighborhood irregularity descriptors for melamine-based TriCF networks: a novel topological insight into structural complexity

  • 期刊论文

  • 发表日期：

    2025年8月10日

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  • Xuemin Ling,
  • Shams Ur Rehman,
  • Asad Ullah,
  • Shahid Zaman,
  • Emad E. Mahmoud,
  • Parvez Ali,
  • Muhammad Abbas

摘要

The melamine-based TriCF structures, specifically the compounds with the general chemical formula C3H6N6, belong to the triazine compound family. These covalent organic frameworks represent a novel class of materials. They are recognized for their remarkable thermal stability, layered structural design, and promising applications as synthetic lubricants. This research provides a comprehensive analysis of the topological descriptors for TriCF structures, particularly emphasizing novel neighborhood irregularity descriptors. Through the examination of degree sums in end-vertex neighborhoods and the development of novel neighborhood irregularity topological descriptor models, this study offers an optimal approach for characterizing and interpreting the structural features of triazine-based covalent organic frameworks (TriCF). The proposed topological descriptors significantly enhance our ability to classify, compare, and predict the chemical and physical behavior of molecular structures within complex systems. Moreover, the advanced graph-theoretic approach employed in this study highlights its potential in material design, offering valuable tools for optimizing the properties of melamine-based compounds in industrial applications.