%A HE Yuan-Hang; HUI Ren-Jie; YI Yuan-Ping; SHUAI Zhi-Gang
%T Multiphoton Absorption in Expanded Porphyrins
%0 Journal Article
%D 2008
%J Acta Phys. -Chim. Sin.
%R 10.1016/S1872-1508(08)60023-6
%P 565-570
%V 24
%N 04
%U {http://www.whxb.pku.edu.cn/CN/abstract/article_25615.shtml}
%8 2008-04-07
%X We have calculated the multiphoton absorption cross-sections for three expanded porphyrin derivatives using the sum-over-states-involved tensor approach in combination with the strongly correlated multireference determinant single- and double-configuration interaction method. The calculated results showed that the two- and three-photon energies corresponding to the first peak of the multiphoton absorption spectra showed a decrease (red-shifted) with the number of inserted thiophene groups, whereas the cross sections showed a remarkable increase, particularly for three-photon absorption cross-section. However, the larger twist of the molecular plane for the expanded molecule resulted in an obvious drop in the increasing trend for three-photon absorption cross-section.