• Triads of Fibonacci graphs in MO calculations: Some applications to charge-transfer complexes

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      https://www.ias.ac.in/article/fulltext/jcsc/106/01/0065-0072

    • Keywords

       

      Fibonacci triads; Ulam subgraphs; characteristic polynomials

    • Abstract

       

      El-Basil's Fibonacci triad (FT) method has been utilised to construct the characteristic polynomials of a series of aromatic hydrocarbon radicals. These, in turn, have been used to calculate graph-theoretically the HOMO energies of a series of methylbenzenes in a hyperconjugative model. From a correlation of the calculated energies with the charge-transfer bands of their π-type molecular complexes, reasonable values of the hyperconjugative Hückel parameters of the methyl group have been found. The convenience resulting from the regressive use of FT's has been focussed on.

    • Author Affiliations

       

      Asok K Mukherjee1 Jayanta Sarkar2

      1. Chemistry Department, Burdwan Raj College, Burdwan - 713 104, India
      2. Okersa High School, Okersa, Burdwan - 713 514, India
    • Dates

       
  • Journal of Chemical Sciences | News

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