• Jayanta Sarkar

      Articles written in Journal of Chemical Sciences

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

      Asok K Mukherjee Jayanta Sarkar

      More Details Abstract Fulltext PDF

      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.

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