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On Curve Fitting between Heat of Formation and Entropy Measures for Fe Phthalocyanine

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

The second-most significant category of colorants is phthalocyanines, and copper phthalocyanine is the single colorant with the highest sales volume. Phthalocyanine colorants have historically been used as blue and green pigments for printing inks and automobile paints as well as blue/cyan dyes for textiles and paper. To determine how complex the underlying graph was, we employed Shannon’s information entropy. Certain degree-based entropies derived from topological indices were estimated. Curve fitting between calculated information entropies and Heat of formation was combined with the numerical and graphical representation of computed results. The Fe Phthalocyanine is based on topological indices, which give a comprehensive picture of potentially significant aspects that could be useful in structurally changing (FePc) for particular applications.

Original languageEnglish
Pages (from-to)8442-8454
Number of pages13
JournalPolycyclic Aromatic Compounds
Volume43
Issue number9
DOIs
StatePublished - 2023
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2022 Taylor & Francis Group, LLC.

Keywords

  • AZI index
  • Fe phthalocyanine FePc
  • Heat of formation
  • Shanon entropy
  • Zagreb indices
  • entropy
  • topological indices

ASJC Scopus subject areas

  • Organic Chemistry
  • Polymers and Plastics
  • Materials Chemistry

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