Synthesis and Theoretical Study on Fluorescence Property of 4-(2-Hydroxybenzylideneamino)Phenyl Ethanone Schiff Base

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	Synthesis and Theoretical Study on Fluorescence Property of 4-(2-Hydroxybenzylideneamino)Phenyl Ethanone Schiff Base
	Liang Xiao-rui 1; Wang Gang2 ; Jiang Yan-lan 1; Qu Cheng-li 2; Wang Xiu-juan2 ; Zhao Bo 3
刊名	SPECTROSCOPY AND SPECTRAL ANALYSIS
	2013-12-01
卷号	33 期号:12 页码:3259-3262
关键词	4-(2-hydroxybenzylideneamino)phenyl ethanone DFT TD-DFT Fluorescence spectrum Fluorescence quantum yield
ISSN号	1000-0593
其他题名	水杨醛缩对乙酰基苯胺希夫碱的合成及其荧光性质
通讯作者	Wang, G (reprint author), Chinese Acad Sci, Yantai Inst Coastal Zone Res, Yantai 264003, Peoples R China. xiaoruiliang12@163.comn ; gwang@yic.ac.cn
产权排序	[Liang Xiao-rui; Jiang Yan-lan] Naval Aeronaut & Astronaut Univ, Dept Basic Sci, Yantai 264001, Peoples R China; [Wang Gang; Qu Cheng-li; Wang Xiu-juan] Chinese Acad Sci, Yantai Inst Coastal Zone Res, Yantai 264003, Peoples R China; [Zhao Bo] Nanjing Normal Univ, Sch Chem & Environm Sci, Nanjing 210097, Jiangsu, Peoples R China
中文摘要	Using salicylaldehyde and 4-aminophenyl ethanone as raw material, a Schiff base derivative 4-(2-hydroxybenzylideneamino) phenyl ethanone was synthesized by the solid phase reaction method at room temperature. The structure of the product was characterized by elemental analysis and (HNMR)-H-1. The UV spectra, fluorescence emission spectra and fluorescence quantum yield of the title Schiff base derivative were investigated. The results showed that this Schiff base displayed superior fluorescence property. The ground state configuration of the title Schiff base was optimized by density functional theory (DFT) method at the B3LYP/6-311G level. After vibrational analysis, there is no imaginary frequency, which indicates that the structure is stable. Then the ground state configuration was optimized to the excited state configuration by the method of single excited interactions CIS. Based on the optimized structure for the ground state and excited state time-dependent density functional theory (TD-DFT) calculations were carried out at the B3LYP/6-31G level to predict the absorption spectra and the fluorescence spectra. The results show that the computed spectra were comparable with the spectra from the experiments. The relationship between the molecular structure and the fluorescence property of 4-(2-hydroxybenzylideneamino) phenyl ethanone was also discussed. The results obtained may provide some theoretical guidance for the design of new fluorescence compounds.
英文摘要	Using salicylaldehyde and 4-aminophenyl ethanone as raw material, a Schiff base derivative 4-(2-hydroxybenzylideneamino) phenyl ethanone was synthesized by the solid phase reaction method at room temperature. The structure of the product was characterized by elemental analysis and (HNMR)-H-1. The UV spectra, fluorescence emission spectra and fluorescence quantum yield of the title Schiff base derivative were investigated. The results showed that this Schiff base displayed superior fluorescence property. The ground state configuration of the title Schiff base was optimized by density functional theory (DFT) method at the B3LYP/6-311G level. After vibrational analysis, there is no imaginary frequency, which indicates that the structure is stable. Then the ground state configuration was optimized to the excited state configuration by the method of single excited interactions CIS. Based on the optimized structure for the ground state and excited state time-dependent density functional theory (TD-DFT) calculations were carried out at the B3LYP/6-31G level to predict the absorption spectra and the fluorescence spectra. The results show that the computed spectra were comparable with the spectra from the experiments. The relationship between the molecular structure and the fluorescence property of 4-(2-hydroxybenzylideneamino) phenyl ethanone was also discussed. The results obtained may provide some theoretical guidance for the design of new fluorescence compounds.
学科主题	Spectroscopy
研究领域[WOS]	Spectroscopy
关键词[WOS]	EXCITATION-ENERGIES
收录类别	SCI
原文出处	http://dx.doi.org/10.3964/j.issn.1000-0593(2013)12-3259-04
语种	英语
WOS记录号	WOS:000328710600019
公开日期	2014-07-08
内容类型	期刊论文
源URL	[http://ir.yic.ac.cn/handle/133337/7032]
专题	烟台海岸带研究所_海岸带生物学与生物资源利用所重点实验室烟台海岸带研究所_支撑部门
作者单位	1.Naval Aeronaut & Astronaut Univ, Dept Basic Sci, Yantai 264001, Peoples R China 2.Chinese Acad Sci, Yantai Inst Coastal Zone Res, Yantai 264003, Peoples R China 3.Nanjing Normal Univ, Sch Chem & Environm Sci, Nanjing 210097, Jiangsu, Peoples R China
推荐引用方式 GB/T 7714	Liang Xiao-rui,Wang Gang,Jiang Yan-lan,et al. Synthesis and Theoretical Study on Fluorescence Property of 4-(2-Hydroxybenzylideneamino)Phenyl Ethanone Schiff Base[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS,2013,33(12):3259-3262.
APA	Liang Xiao-rui,Wang Gang,Jiang Yan-lan,Qu Cheng-li,Wang Xiu-juan,&Zhao Bo.(2013).Synthesis and Theoretical Study on Fluorescence Property of 4-(2-Hydroxybenzylideneamino)Phenyl Ethanone Schiff Base.SPECTROSCOPY AND SPECTRAL ANALYSIS,33(12),3259-3262.
MLA	Liang Xiao-rui,et al."Synthesis and Theoretical Study on Fluorescence Property of 4-(2-Hydroxybenzylideneamino)Phenyl Ethanone Schiff Base".SPECTROSCOPY AND SPECTRAL ANALYSIS 33.12(2013):3259-3262.