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Synthesis and optical properties of a D–A–D cationic cyclopentadienyl iron complex containing double arylazo chromophores
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  • 作者:Jiqiang Liu ; Xiaoqin Jia ; Guanglei Li ; Baodong Zhao…
  • 关键词:Cationic cyclopentadienyl iron complex ; Arylazo ; Synthesis ; Absorption ; Nonlinear optical properties
  • 刊名:Research on Chemical Intermediates
  • 出版年:2015
  • 出版时间:November 2015
  • 年:2015
  • 卷:41
  • 期:11
  • 页码:8245-8255
  • 全文大小:1,275 KB
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  • 作者单位:Jiqiang Liu (1)
    Xiaoqin Jia (1)
    Guanglei Li (2)
    Baodong Zhao (1)
    Jie Zhao (1)
    Xiaoning Wang (3)
    Tao Wang (1) (4)

    1. State Key Laboratory of Chemical Resource Engineering, College of Science, Beijing University of Chemical Technology, Beijing, 100029, People’s Republic of China
    2. Beijing Schengenbiya Bioengineering Technology Company Limited, Beijing, 100029, People’s Republic of China
    3. College of Material Engineering, Beijing Institute of Fashion Technology, Beijing, 100029, People’s Republic of China
    4. Department of Organic Chemistry, College of Science, Beijing University of Chemical Technology, Beijing, 100029, People’s Republic of China
  • 刊物类别:Chemistry and Materials Science
  • 刊物主题:Chemistry
    Catalysis
    Physical Chemistry
    Inorganic Chemistry
  • 出版者:Springer Netherlands
  • ISSN:1568-5675
文摘
A D–A–D cationic cyclopentadienyl iron complex containing double arylazo chromophores (Fc-diazo) with methoxyl group (Fc-diazo-OMe) was obtained via nucleophilic substitution and well characterized by IR, UV–visible, 1H NMR, and 13C NMR spectroscopy, and MS. UV–Vis absorption and nonlinear optical property of Fc-diazo-OMe were investigated by comparison of Fc-diazo with no methoxyl group (Fc-diazo-H). Quantum chemical calculations of the orbital energy, geometric structure of Fc-diazo-OMe, and Fc-diazo-H were conducted by using density functional methods at the B3PW91/Lanl2dz level. Charge transfer from the highest occupied molecular orbital to the lowest unoccupied molecular orbital was found based on density functional theory. The substitution of the methoxyl group greatly improves the NLO property of Fc-diazo. Fc-diazo-OMe shows effective two-photon absorption, coefficient and third-order nonlinear susceptibility for potential applications as optical materials, while Fc-diazo-H barely shows NLO ability. Keywords Cationic cyclopentadienyl iron complex Arylazo Synthesis Absorption Nonlinear optical properties

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