首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Investigation of the Two-Photon Absorption Cross-Section in Perylene Tetracarboxylic Derivatives:Nonlinear Spectra and Molecular Structure
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Investigation of the Two-Photon Absorption Cross-Section in Perylene Tetracarboxylic Derivatives:Nonlinear Spectra and Molecular Structure

机译:ylene四羧酸衍生物中双光子吸收截面的研究:非线性光谱和分子结构

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摘要

We investigated the 2PA absorption spectrum of a family of perylene tetracarboxylic derivatives(PTCDs):bis(benzimidazo)perylene(AzoPTCD),bis(benzimidazo)thioperylene(Monothio BZP),n-pentylimidobenz-imidazoperylene(PazoPTCD),and bis(n-butylimido)perylene(BuPTCD).These compounds present extremely high two-photon absorption,which makes them attractive for applications in photonics devices.The two-photon absorption cross-section spectra of perylene derivatives obtained via Z-scan technique were fitted by means of a sum-over-states(SOS)model,which described with accuracy the different regions of the 2PA cross-section spectra.Frontier molecular orbital calculations show that all molecules present similar features,indicating that nonlinear optical properties in PTCDs are mainly determined by the central portion of the molecule,with minimal effect from the lateral side groups.In general,our results pointed out that the differences in the 2PA cross-sections among the compounds are mainly due to the nonlinearity resonance enhancement.
机译:我们研究了per四羧酸衍生物(PTCDs):双(苯并咪唑)per(AzoPTCD),双(苯并咪唑)硫代ylene(Monothio BZP),正戊基咪唑并苯-咪唑并戊二酮(PazoPTCD)和双(n-丁基亚氨基)two(BuPTCD)。这些化合物具有极高的双光子吸收率,这使其在光子学设备中具有吸引力。一个总和状态(SOS)模型,该模型准确地描述了2PA横截面光谱的不同区域。前沿的分子轨道计算表明,所有分子都具有相似的特征,这表明PTCD中的非线性光学性质主要取决于通常,我们的结果指出,化合物之间2PA截面的差异主要是由于非线性共振增强。

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