@article{KleinpeterKochMikhovaetal.2008,
  author    = {Kleinpeter, Erich and Koch, Andreas and Mikhova, Bozhana and Stamboliyska, Bistra A. and Kolev, Tsonko M.},
  title     = {Quantification of the push-pull character of the isophorone chromophore as a measure of molecular hyperpolarizability for NLO applications},
  issn      = {0040-4039},
  doi       = {10.1016/j.tetlet.2007.12.107},
  year      = {2008},
  abstract  = {The push-pull character of a series of para-phenyl substituted isophorone chromophores has been quantified by the 13C chemical shift difference of the three conjugated partial C=C double bonds and the quotient of the occupations of both the bonding and anti-bonding orbitals of these C=C double bonds as well. The correlations of the two push-pull quantifying parameters, and to the corresponding bond lengths, strongly recommend ;*c=c/ ;c=c as the general parameter to estimate charge alternation and as a very useful indication of the molecular hyperpolarizabilities for NLO application of the compounds studied.},
  language  = {en}
}