Chemistry Letters, Vol.39, No.6, 582-583, 2010
Pure Branch Effect on the Optical Properties of Novel Conjugated Derivatives
Pure cooperative branch effects on one- and two-photon optical properties of conjugated derivatives are presented. AM1 calculations demonstrate that the electron density distribution of the frontier orbital and the dipole moment changes of the derivatives are related to the number of branches. The theoretical results show that not only the energy level of the frontier orbital could be mediated by the number of branches, but the HOMO-LUMO gap could be regulated.