Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5419124 | Journal of Molecular Structure: THEOCHEM | 2006 | 7 Pages |
Abstract
One- and two-photon absorption properties of a series of fluorene derivatives with symmetrical charge transfer D-Ï-D and A-Ï-A structural motifs have been theoretically investigated with ZINDO/S method. The optimized structures and the characterization of frontier molecular orbitals were obtained by using AM1 calculations. Two-photon absorption properties of molecules have been studied using three-state model. The calculation results have shown that fluorene-thiophene derivatives exhibit larger two-photon absorption cross-section as compared with other studied molecules. To illustrate the results, the crucial effects of thiophene ring on fluorene-thiophene derivatives and the net charge changes on the Ï-conjugated bridges are analyzed theoretically.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Wenbo Ma, Yiqun Wu, Donghong Gu, Fuxi Gan,