Effective conjugation length and UV/vis spectra of oligomers

Abstract

AbstractOn the basis of an extended series of monodisperse oligomers of the dialkoxy‐substituted phenyleneethenylenes 1a–i the Eqs. (3) and (4) were conceived in order to determine the limiting values of the energies Ei and the wavelengths λi of the UV/vis absorption. The convergence of the Ei, and λi values with a growing number n of repeating units permits a precise prediction of the Ei,∞ and λi,∞ values of the corresponding polymer 1j as well as a statement about the overall effect of conjugation ΔEi and the effective conjugation length ECL. A great variety of different conjugated oligomers 2–14 can be evaluated by the same algorithm.