| Synthesis and Theoretical Study on Fluorescence Property of 4-(2-Hydroxybenzylideneamino)Phenyl Ethanone Schiff Base | |
| 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 |
Liang Xiao-rui1; Wang Gang2 ; Jiang Yan-lan1; Qu Cheng-li2; Wang Xiu-juan2; Zhao Bo3; Wang, G (reprint author), Chinese Acad Sci, Yantai Inst Coastal Zone Res, Yantai 264003, Peoples R China. xiaoruiliang12@163.comn; gwang@yic.ac.cn
| |
| 发表期刊 | SPECTROSCOPY AND SPECTRAL ANALYSIS
 |
| ISSN | 1000-0593 |
| 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 |
| 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 |
| 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.; 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. |
| 文章类型 | Article |
| 收录类别 | SCI |
| 语种 | 英语 |
| 关键词[WOS] | EXCITATION-ENERGIES |
| 研究领域[WOS] | Spectroscopy |
| WOS记录号 | WOS:000328710600019 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.yic.ac.cn/handle/133337/7032 |
| 专题 | 海岸带生物学与生物资源利用重点实验室_海岸带生物学与生物资源保护实验室 支撑部门 |
| 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 |
| 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.,...&gwang@yic.ac.cn.(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. |
| 条目包含的文件 | ||||||
| 文件名称/大小 | 文献类型 | 版本类型 | 开放类型 | 使用许可 | ||
| Synthesis and Theore（1313KB） | 开放获取 | CC BY-NC-SA | 浏览 请求全文 | |||
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。
修改评论