The electronic structures and the optical properties of two anthracene derivatives, DBMA and DAA, are investigated by both experimental tech- niques and quantum chemical calculations. The cy- clic voltammetry and diff...The electronic structures and the optical properties of two anthracene derivatives, DBMA and DAA, are investigated by both experimental tech- niques and quantum chemical calculations. The cy- clic voltammetry and differential pulse polarograph measurement revealed that the introduction of ben- zol-imidazol and pyrrolo-pyridine group on the an- thracene block can affect the electrochemical be- havior of DBMA and DAA. Both UV/visible absorption and emission spectra of DBMA and DAA are red-shifted in contrast to the unsubstituted anthra- cene, so that the anthracene derivatives emit at blue-green region and the luminescence yields are remarkably elevated (over 90%). The B3LYP/6-31G theoretical calculations explored that the electronic structures of the anthracene derivatives are per- turbed by the side substitutes on the anthracene block, and the slight variation of the electronic struc- tures results in the enhanced electron accepting abil- ity and the decrease of the HOMO-LUMO energy gap, which is the origin of the emission to be shifted to blue-green region. The non-planar geometry struc- tures of DBMA and DAA are responsible for the ex- cellent luminescence yields.展开更多
基金the Major State Basic Research Development Program （Grant No. 2002CB613401） the National Natural Science Foundation of China （Grant No. 20474023）+1 种基金the Basic Research Project of Jilin Province （Grant No. 20050504） Program for Changjiang Scholars and Innovative Research Team in University （Grant No. IRT0422）.
文摘The electronic structures and the optical properties of two anthracene derivatives, DBMA and DAA, are investigated by both experimental tech- niques and quantum chemical calculations. The cy- clic voltammetry and differential pulse polarograph measurement revealed that the introduction of ben- zol-imidazol and pyrrolo-pyridine group on the an- thracene block can affect the electrochemical be- havior of DBMA and DAA. Both UV/visible absorption and emission spectra of DBMA and DAA are red-shifted in contrast to the unsubstituted anthra- cene, so that the anthracene derivatives emit at blue-green region and the luminescence yields are remarkably elevated (over 90%). The B3LYP/6-31G theoretical calculations explored that the electronic structures of the anthracene derivatives are per- turbed by the side substitutes on the anthracene block, and the slight variation of the electronic struc- tures results in the enhanced electron accepting abil- ity and the decrease of the HOMO-LUMO energy gap, which is the origin of the emission to be shifted to blue-green region. The non-planar geometry struc- tures of DBMA and DAA are responsible for the ex- cellent luminescence yields.
