@article{KleinpeterBoelkeKreicberga2010,
  author    = {Kleinpeter, Erich and Boelke, Ute and Kreicberga, Jana},
  title     = {Quantification of the push-pull character of azo dyes and a basis for their evaluation as potential nonlinear optical materials},
  issn      = {0040-4020},
  year      = {2010},
  abstract  = {The push-pull characters of a large series of donor-acceptor substituted azo dyes{\`u}71 structures in all{\`u}have been quantified by the NN double bond lengths, dNN, the 15N NMR chemical shift differences, ;;15N, of the two nitrogen atoms and the quotient, ;*/;, of the occupations of the antibonding ;*, and bonding ; orbitals of this partial NN double bond. The excellent correlation of the occupation quotients with the bond lengths strongly infers that both ;*/; and dNN are excellent parameters for quantifying charge alternation in the push-pull chromophore and the molecular hyperpolarizability, ;0, of these compounds. By this approach, selected compounds can be appropriately considered as viable candidates for nonlinear optical (NLO) applications.},
  language  = {en}
}