| Second-order Nonlinear Optical Properties of a Series of Benzothiazole Derivatives |
| |
| 作者姓名： | 刘孝娟 冷卫南 |
| |
| 作者单位： | [1]StateKeyLaboratoryofTheoreticalComputationalChemistry,InstituteofTheoreticalChemistry,JilinUniversity,Changchun,Jilin130023,China [2]DepartmentofChemistryandChemicalEngineering,Southeast |
| |
| 基金项目： | ProjectsupportedbytheNationalNaturalScienceFoundationofChina (No .2 99730 10 )andtheKeyLabofSupramolecularStructureandMate rialofJilinUniversity . |
| |
| 摘 要： | The second-order nonlinear optical (NLO) properties of a series of benzothiazole derivatives were studied by use of the ZINDO-SOS method.These chromophores are formed by a donor- π- bridge-acceptor system,based on a nitro group connected with benzothiazole as the acceptor and a hydroxyl-functional amino group as the donor.For the purpose of comparison,we also designed molecules in which nitrobenzene is an acceptor,The calculation results indicate that benzothiazole derivatives exhibit larger second-odrder polarizabilities than nitrobenzene derivatives.In order to clarify the origin of the NLO response of these chromophores,their electron properties were investigated as well.The benzothiazole derivatives are good candidates for application in electro-optical device due to their high optical nonlinearities,good thermal and photonic stability.
|
| 关 键 词： | 二阶非线性光学性质 NLO 苯并噻唑衍生物 ZINDO-SOS 结构 电子光谱 光学材料 |
Second-order Nonlinear Optical Properties of a Series of Benzothiazole Derivatives |
| |
| LIU,Xiao-Juan a LENG,Wei-Nan b FENG,Ji-Kang,a REN,Ai-Min a ZHOU,Xin a aState Key Laboratory of Theoretical Computational Chemistry.Second-order Nonlinear Optical Properties of a Series of Benzothiazole Derivatives[J].Chinese Journal of Chemistry,2003,21(1):9-15. |
| |
| Authors: | LIU Xiao-Juan a LENG Wei-Nan b FENG Ji-Kang a REN Ai-Min a ZHOU Xin a aState Key Laboratory of Theoretical Computational Chemistry |
| |
| Institution: | LIU,Xiao-Juan a LENG,Wei-Nan b FENG,Ji-Kang,a REN,Ai-Min a ZHOU,Xin a aState Key Laboratory of Theoretical Computational Chemistry,Institute of Theoretical Chemistry,Jilin University,Changchun,Jilin 130023,China bDepartment of Chemistry and Chemical Engineering,Southeast University,Nanjing,Jiangsu 210093,China |
| |
| Abstract: | The second‐order nonlinear optical (NLO) properties of a series of benzothiazole derivatives were studied by use of the ZINDO‐SOS method. These chromophores are formed by a donor‐π‐bridge‐acceptor system, based on a nitro group connected with benzothiazole as the acceptor and a hydroxyl‐functional amino group as the donor. For the purpose of comparison, we also designed molecules in which nitrobenzene is an acceptor. The calculation results indicate that benzothiazole derivatives exhibit larger second‐order polarizabilities than nitrobenzene derivatives. In order to clarify the origin of the NLO response of these chromophores, their electron properties were investigated as well. The benzothiazole derivatives are good candidates for application in electro‐optical device due to their high optical nonlinearities, good thermal and photonic stability. |
| |
| Keywords: | second-order nonlinear polarizability benzothiazole derivatives ZINDO-SOS |
| 本文献已被 CNKI 维普 等数据库收录！ |
|
