Structural dependences of the η~6 complexes of 3-amino-9-ethylcarbazole with chromium tricarbonyl fragment on third-order optical nonlinearities  

作　　者：YUAN YiZhong SUN ZhenRong WANG ZuGeng 

机构地区：[1]State Key Laboratory of Precision Spectroscopy, and Department of Physics, East China Normal University, Shanghai 200062, China [2]School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China

出　　处：《Chinese Science Bulletin》2008年第10期1473-1478,共6页

基　　金：the National Natural Science Foundation of China (Grant No. 10574046);National Key Project for Basic Research of China (Grant Nos. 2006CB806006 and 2006CB921105);Program for Changjiang Scholars and Innova-tive Research Team in University (PCSIRT);Program for New Century Excellent Talents in University (NCET-04-0420);the Doctoral Program of High Education (Grant No. 20050269011);Phosphor Program Sponsored by Shanghai Science and Technology Committee (Grant No. 06QH14003)

摘　　要：Degenerate four-wave mixing measurements, using the 35 ps pulses at 532 nm, have been employed to investigate the third-order nonlinear optical parameters of two chromium tricarbonyl complexes η6-bonded to 3-amino-9-ethylcarbazole at either the NH2-substituted aryl ring (1) or the unsubstituted ring (2) and their precursor 3-amino-9-ethylcarbazole (AECz). The second-order hyperpolarizability γ of the compounds 1 and 2 were found to be 42.9×10-31 and 35.9×10-31 esu, respectively, approximately one order of magnitude greater than AECz. The relation between the molecular structure and second-order hyperpolarizability of the compounds 1 and 2 was explored in detail based on the three-level model and the density functional theory (DFT) calculation. The theoretical results indicate that the spatial distri-bution of electron density has the profound role in the third-order nonlinear optical properties.Degenerate four-wave mixing measurements, using the 35 ps pulses at 532 nm, have been employed to investigate the third-order nonlinear optical parameters of two chromium tricarbonyl complexes η6-bonded to 3-amino-9-ethylcarbazole at either the NH2-substituted aryl ring （1） or the unsubstituted ring （2） and their precursor 3-amino-9-ethylcarbazole （AECz）. The second-order hyperpolarizability y of the compounds 1 and 2 were found to be 42.9×10^-31 and 35.9×10^-31 esu, respectively, approximately one order of magnitude greater than AECz. The relation between the molecular structure and second-order hyperpolarizability of the compounds I and 2 was explored in detail based on the three-level model and the density functional theory （DFT） calculation. The theoretical results indicate that the spatial distribution of electron density has the profound role in the third-order nonlinear optical properties.

关 键 词：铬 密度泛函理论 非线性光学 三水平模式 混合物 

分 类 号：O6[理学—化学]