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5. Theoretical investigation on dual fluorescence and intramolecular charge transfer of 5-phenyl-5H-phe

Theoretical investigation on dual fluorescence and intramolecular charge transfer of 5-phenyl-5H-phe

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：tropicalpalmetto

【摘 要】

：

Quantum-chemical calculations with the time-dependent density function theory (TDDFT) have been carried out for 5-phenyl-5H-phenanthridin-6-one (PP). For this m

【作 者】

：

XiaoHui Duan (1)  ChongHua P 

【机 构】

：

1.CollegeofMaterialsScienceandEngineering

【出 处】

：

中国科学：化学英文版

【发表日期】

：

2008年7期

【关键词】

：

dual fluorescence INTRAMOLECULAR charge transfer SOLVENT effects PICT model TDDF 

【基金项目】

：

Supported by the Major Scientific Research Project of Southwest University of Science and Technology (Grant No. 053118)

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Quantum-chemical calculations with the time-dependent density function theory (TDDFT) have been carried out for 5-phenyl-5H-phenanthridin-6-one (PP). For this molecule, dual fluorescence and in- tramolecular charge transfer (ICT) were experimentally obser

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