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<p>The development of novel topologies in covalent organic frameworks (COFs) enhances reticular chemistry and materials science, offering a systematic approach to constructing COFs and uncovering intricate relationships between their structures and properties. The inclusion of aminal derived linkages enables COFs with greater structural diversity and exceptional functionalities. This study examines the graph-structural properties of aminal-linked COFs using entropy information and hybrid topological descriptors, determining their topological complexity. Additionally, we employ these descriptors as the basis for robust statistical regression models, facilitating the generation of graph energies for these frameworks and the analysis of HOMO–LUMO gaps.</p>

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Topological information entropy and spectral energy analysis in aminal-linked covalent organic frameworks

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年6月5日

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  • Xiujun Zhang,
  • Micheal Arockiaraj,
  • Aravindan Maaran,
  • C. I. Arokiya Doss

摘要

The development of novel topologies in covalent organic frameworks (COFs) enhances reticular chemistry and materials science, offering a systematic approach to constructing COFs and uncovering intricate relationships between their structures and properties. The inclusion of aminal derived linkages enables COFs with greater structural diversity and exceptional functionalities. This study examines the graph-structural properties of aminal-linked COFs using entropy information and hybrid topological descriptors, determining their topological complexity. Additionally, we employ these descriptors as the basis for robust statistical regression models, facilitating the generation of graph energies for these frameworks and the analysis of HOMO–LUMO gaps.