文献类型：期刊文献

英文题名：Spirooxazine-Fulgide Biphotochromic Molecular Switches with Nonlinear Optical Responses across Four States

作者：Yuan, Jianyong;Yuan, Yizhong[1];Tian, Xiaohui[1];Sun, Jinyu;Ge, Ya

机构：[1]East China Univ Sci & Technol, Key Lab Ultrafine Mat, Minist Educ, Sch Mat Sci & Engn, Shanghai 200237, Peoples R China; East China Univ Sci & Technol, Shanghai Key Lab Adv Polymer Mat, Sch Mat Sci & Engn, Shanghai 200237, Peoples R China

年份：2016

卷号：120

期号：27

起止页码：14840

外文期刊名：JOURNAL OF PHYSICAL CHEMISTRY C

收录：;EI(收录号：20163002643468);WOS:【SCI-EXPANDED(收录号:WOS:000379990400043)】；

基金：This research was supported by the Fundamental Research Funds for the Central Universities of China (22A201514002), Shanghai leading academic discipline project (No. B502), and Shanghai key laboratory project (No. 08DZ2230500). Special thanks to Dr. Tian Lu for his academic and technical assistance.

语种：英文

外文关键词：Optical switches - Nonlinear optics

摘要：A new type of prototypical biphotochromic switches combining spirooxazine and fulgide has been synthesized, and their nonlinear optical (NLO) responses have been theoretically studied on the basis of density functional theory (DFT). Our DFT calculations show that the introduction of a fulgide fragment (E and C) into the spirooxazine host can largely enhance the static second- and third-order NLO responses. Moreover, the photoisomerization of spirooxazine derivatives (SO-E and SO-C) brings forth a pronounced change in the geometry accompanied by the formation of a larger pi-conjugated system, and thus the corresponding merocyanine derivatives (PMC-E and PMC-C) obtain similar to 3.5-times enhancement of static second and third-order NLO responses. Nevertheless, the difference in NLO responses between the E-form series (SO-E and PMC-E) and the C-form series (SO-C and PMC-C), respectively, is not substantial, which means the fulgide fragment in the prototypical biphotochromic system does not considerably differentiate the corresponding optical nonlinearities. To separate well the NLO responses of four states in our prototype, we further propose a structural modification strategy by introducing the furan moiety (2-vinylfuran) into the pi-bridge, and the corresponding NLO performances from DFT results finally meet our demands, indicating that such a revised biphotochromic system based on our prototype is a fascinating choice for the architecture of multistate NLO switches.