UV absorption spectra of 1,1 '-binaphtyle and 2,2 '-binaphtyle molecules and their self-associations from the atom monopole-dipole interaction (AMDI)model

The Atom Monopole-Dipole interaction (AMDI) model is used for the first tim e in calculation of UV absorption spectra of 1,1'-binaphtyl and 2,2'-binaph tyl and their self-associations for the case of frequency-dependant atom po larisability with Lorentzian band shape. UV absorption spectra are obtained from a set of electronic normal modes. The variation of spectra with the c onformation of these molecules concord with the results of the medium effec t on the corresponding electronic transitions. The calculated auto-associat ion spectra are qualitatively in good agreement with polycyclic aromatic hy drocarbon aggregations behaviour. (C) 2000 Elsevier Science B.V. All rights reserved.