Heterometallic copper(Ⅱ) vanadates: synthesis, crystal structures and third-order nonlinear optical properties  

作　　者：LIU FaQian WANG Lei GUO JiXi LI WeiHua LI ChaoQin JIN YanLing LI RongXun JIAN FangFang 

机构地区：[1]Engineering Research Center of High Performance Polymer & Molding Technology,Ministry of Education,Qingdao University of Science and Technology [2]Institute of Applied Chemistry,Xinjiang University [3]Institute of Oceanology,Chinese Academy of Sciences [4]Collaborative Innovation Center of Engineering Construction and Safety for Oceanic Economic Zone

出　　处：《Science China Chemistry》2014年第9期1235-1245,共11页中国科学（化学英文版）

基　　金：supported by the National Natural Science Foundation of China(21371105,51372125);the Natural Science Foundation of Shandong Province(2009ZRA02071);the Scientific Development Plan of University in Shandong Province(J09LB53);the Doctoral Science Foundation of QUST

摘　　要：Three polymeric heterometallic clusters with 1D, 2D, and 3D frameworks, constructed from a cyclic vanadate {V4O12}4- building block and three geometric constraint ligands, were synthesized by a one-pot self-assembly reaction. Z-scan experiments demonstrated that all the three cluster polymers have large hyperpolarizability y values. TD-DFT calculations afforded insight into the electronic transitions and spectral characterization of these novel NLO molecular materials.Three polymeric heterometallic clusters with 1D, 2D, and 3D frameworks, constructed from a cyclic vanadate {V4O12}4-building block and three geometric constraint ligands, were synthesized by a one-pot self-assembly reaction. Z-scan experiments demonstrated that all the three cluster polymers have large hyperpolarizability γ values. TD-DFT calculations afforded insight into the electronic transitions and spectral characterization of these novel NLO molecular materials.

关 键 词：cluster polymers third-order nonlinear optical properties TD-DFT calculations POLYOXOVANADATE 

分 类 号：O631.2[理学—高分子化学]