Lucas sequence and Fibonacci triads of graphs for analysis of charge transfer spectra of complexes of a series of methylated indoles
Amit S. Tiwary, Bankim Chandra Ghosh · Zenodo (CERN European Organization for Nuclear Research) · 2016
Department of Chemistry, Netaji Mahavidyalaya, Arambagh-712 601, Hooghly, West Bengal, India E-mail : [email protected] Department of Chemistry, Durgapur Government College, Durgapur-713 214, Burdwan, West Bengal, India Manuscript received 21 June 2016, accepted 22 July 2016 Recursive use of Lucas sequences and Fibonacci triads of graphs in a complete perturbational molecular orbital (PMO) calculation is shown to be convenient in obtaining expressions for the HOMO energies of a series of methylated indoles in terms of the inductive effect PMO parameter (hMe) of the methyl group. Correlating such expressions with the experimental charge transfer transition energies of the series of TCNE-indole molecular complexes, hMe for the methyl group is determined in a straightforward way and the value thus obtained is close to the one recommended by Streitwieser on the basis of other spectroscopic evidences.