文献类型：期刊文献

英文题名：Spirooxazine-based multifunctional molecular switches with tunable photochromism and nonlinear optical response

作者：Sun, Haitao[1,2];Tian, Xiaohui[1];Autschbach, Jochen[2];Yuan, Yizhong[1];Sun, Jinyu[1];Liu, Xin[3];Chen, Chuan[1];Cao, Huijun[1]

机构：[1]E China Univ Sci & Technol, Sch Mat Sci & Engn, Shanghai Key Lab Adv Polymer Mat, Key Lab Ultrafine Mat,Minist Educ, Shanghai 200237, Peoples R China;[2]SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA;[3]SUNY Buffalo, Dept Chem & Biol Engn, Buffalo, NY 14260 USA

年份：2013

卷号：1

期号：36

起止页码：5779

外文期刊名：JOURNAL OF MATERIALS CHEMISTRY C

收录：;EI(收录号：20141117460678);WOS:【SCI-EXPANDED(收录号:WOS:000323578000024)】；

基金：This work was supported by the National High Technology Research and Development Program of China (0099AA03500), Shanghai Key Project for Basic Research (no. 09JC1404300), Shanghai Leading Academic Discipline Project (B502), Shanghai Key Laboratory Project (08DZ2230500) and grant CHE-0952253 (to JA) of the National Science Foundation. H. Sun greatly thanks the China Scholarship Council for the financial support. We would like to acknowledge the Center for Computational Research (CCR) at the University at Buffalo for providing computational resources.

语种：英文

外文关键词：Molecular orbitals - Optical switches - Nonlinear optics - Photochromism

摘要：A new type of organic photochromic spirooxazine has been synthesized, incorporating increasing numbers of thiophene units by vinyl bridges. These compounds exhibit tunable photochromic properties that are sensitive to low-energy visible light compared with traditional UV. Furthermore, the ring-opening mechanism is put in relation to the interaction of fragment molecular orbitals. The result shows that the effective excitation with significant intensity is centred mainly on the naphthoxazine part and vinyl thiophene plays a crucial role in the photochemical and photophysical process. Density functional calculations are performed to rationalize the "on and off" switching nonlinear optical behaviors of compounds, showing the potential for applying the materials in nonlinear optical switches.