Modulation of the spectral properties of 4-aminophthalimide clusters formed with water molecules by

来源 :2013年第十三届全国化学动力学会议 | 被引量 : 0次 | 上传用户：lx84015092

【摘要】

：

　　TD-DFT (IEFPCM-B3LYP/6-311++G(d,p)) calculations have been performed to investigate the relationship between the absorption and fluorescence spectra of 4-am

【作者】

：

Da-Peng Yang

【机构】

：

StateKeyLaboratoryofMolecularReactionDynamics,dalianInstituteofChemicalPhysics,ChineseAcademyofScien

【出处】

：

2013年第十三届全国化学动力学会议

【发表日期】

：

2013年8期

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　　TD-DFT (IEFPCM-B3LYP/6-311++G(d,p)) calculations have been performed to investigate the relationship between the absorption and fluorescence spectra of 4-aminophthalimide (4AP) and the formation of different types and numbers of hydrogen bonds in water solution,especially to study the effects of hydrogen bond formation and weakening upon photoexcitation on the red- and blue-shifts of the spectral peaks.

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Modulation of the spectral properties of 4-aminophthalimide clusters formed with water molecules by

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