A novel second-order nonlinear optical chromophore （DCDHF-2-V） was synthesized from 3-Hydroxy-3-methyl-2-butanae, propanedinitrile and 4-diethylaminobenzaldehyde by aldol condensation reaction. Molecular structural ...A novel second-order nonlinear optical chromophore （DCDHF-2-V） was synthesized from 3-Hydroxy-3-methyl-2-butanae, propanedinitrile and 4-diethylaminobenzaldehyde by aldol condensation reaction. Molecular structural characterization was investigated by elemental analysis, FTIR, and 1H-NMR spectra. The melting point obtained from DSC thermogram was almost 251 ℃, and the compound shows a thermal stability up to 270 ℃. Second-order NLO properties of the chromophore were measured by solvatochromic method. From the quantum-mechanical two-level model, it can be obtained that the μgβ value of DCDHF-2-V is 6520×10^-48esu atthe wavelength of 1064 nm.展开更多
Organic electrooptical （EO） chromophores are now gaining more attention because the property of organic photorefrative （PR） materials could be controlled by doped EO chromophores. In this paper, nonlinear optical ...Organic electrooptical （EO） chromophores are now gaining more attention because the property of organic photorefrative （PR） materials could be controlled by doped EO chromophores. In this paper, nonlinear optical （NLO） properties of a new group of organic electrooptical chromophores, synthesized recently in our laboratory, were elucidated theoretically with the quantum chemical density functional theory （DFT） and the intermediate neglect of differential overlap Hamilton and the configuration interaction （INDO/CI）, as well as semiemperical Austin Model 1 （AM1） methods. The electronic transition intensity, dipole moment and the second-order polarizability were obtained. The results show this group of chromophores possess appropriate optical absorption property and good electrooptical property and optical activity. The second-order polarizabilities β are as large as the order of 10-29 to 10-28 ESU, indicating the promising applications in the future. The physical mechanism of NLO is discussed by means of molecular orbital and electronic charge distribution.展开更多
文摘A novel second-order nonlinear optical chromophore （DCDHF-2-V） was synthesized from 3-Hydroxy-3-methyl-2-butanae, propanedinitrile and 4-diethylaminobenzaldehyde by aldol condensation reaction. Molecular structural characterization was investigated by elemental analysis, FTIR, and 1H-NMR spectra. The melting point obtained from DSC thermogram was almost 251 ℃, and the compound shows a thermal stability up to 270 ℃. Second-order NLO properties of the chromophore were measured by solvatochromic method. From the quantum-mechanical two-level model, it can be obtained that the μgβ value of DCDHF-2-V is 6520×10^-48esu atthe wavelength of 1064 nm.
文摘Organic electrooptical （EO） chromophores are now gaining more attention because the property of organic photorefrative （PR） materials could be controlled by doped EO chromophores. In this paper, nonlinear optical （NLO） properties of a new group of organic electrooptical chromophores, synthesized recently in our laboratory, were elucidated theoretically with the quantum chemical density functional theory （DFT） and the intermediate neglect of differential overlap Hamilton and the configuration interaction （INDO/CI）, as well as semiemperical Austin Model 1 （AM1） methods. The electronic transition intensity, dipole moment and the second-order polarizability were obtained. The results show this group of chromophores possess appropriate optical absorption property and good electrooptical property and optical activity. The second-order polarizabilities β are as large as the order of 10-29 to 10-28 ESU, indicating the promising applications in the future. The physical mechanism of NLO is discussed by means of molecular orbital and electronic charge distribution.
