| Second-order Nonlinear Optical Properties of a Series of Azulene Derivatives |
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| 作者姓名： | 周新 任爱民 封继康 刘孝娟 许振锋 |
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| 作者单位： | [1]StateKeyLaboratoryofTheoreticalandComputationalChemistry,InstituteofTheoreticalChemistry,JilinUniversity,Changchun,Jilin130023,China [2]DepartmentofPhysics,NationalChungChengUniversity,Min-Hsiung,Chia-Yi,Taiwan,China |
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| 基金项目： | the National Natural Science Foundation of China (Nos. 20273023 and 90101026) and the Kay Laboratory for Supramolecular Structure and Material of Ji |
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| 摘 要： | The first hyperpolarizabilities of a series of novel azulenic-barbituric acid chromophores have been studied by using 12 excitation wavelengths, ranging from 900 to 1907 nm. The dispersion relation of the first hyperpolarizabilities of chromophores holds the same tendency as the experimental results. In addition, the static first hyperpolarizability β0 of molecules was calculated by means of the Sum-Over-States (SOS) expression and the two-level formula respectively. The results show that these molecules possess large static first hyperpolarizabilities and the, β0 value increases as the donor or acceptor strength enhances; the distorted degree of molecules has also an important influence on the β0 value.
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| 关 键 词： | 发色团 激光 甘菊环衍生物 ZINDO-SOS 散射 |
Second-order Nonlinear Optical Properties of a Series of Az-ulene Derivatives |
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| ZHOU,Xina REN,Ai-MinaFENG,Ji-Kang,a,b LIU,Xiao-JuanaSHU,Chia-Chenc a State Key Laboratory of Theoretical and Computational Chemistry.Second-order Nonlinear Optical Properties of a Series of Azulene Derivatives[J].Chinese Journal of Chemistry,2004,22(1):38-46. |
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| Authors: | ZHOU Xina REN Ai-MinaFENG Ji-Kang a b LIU Xiao-JuanaSHU Chia-Chenc a State Key Laboratory of Theoretical and Computational Chemistry |
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| Institution: | ZHOU,Xina REN,Ai-MinaFENG,Ji-Kang*,a,b LIU,Xiao-JuanaSHU,Chia-Chenc a State Key Laboratory of Theoretical and Computational Chemistry,Institute of Theoretical Chemistry,Jilin Uni-versity,Changchun,Jilin 130023,China b College of Chemistry,Jilin University,Changchun,Jilin 130023,China c Department of Physics,National Chung Cheng University,Min-Hsiung,Chia-Yi,Taiwan,China |
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| Abstract: | The first hyperpolarizabilities of a series of novel azulenic-barbituric acid chromophores have been studied by using 12 excitation wavelengths, ranging from 900 to 1907 nm. The dispersion relation of the first hyperpolariza-bilities of chromophores holds the same tendency as the experimental results. In addition, the static first hyperpo-larizability 0 of molecules was calculated by means of the Sum-Over-States (SOS) expression and the two-level formula respectively. The results show that these molecules possess large static first hyperpolarizabilities and the 0 value increases as the donor or acceptor strength enhances; the distorted degree of molecules has also an important influence on the 0 value. |
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| Keywords: | the first hyperpolarizability azulene derivative ZINDO-SOS structure dispersion |
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