| 光谱学与光谱分析 |
|
|
|
|
|
| Quantum Chemistry Study on Fluorescence Spectra of Three Flavonoid Compounds |
| SU Yu1, LIAO Xian-wei2*, LIU Shan2, DENG Jia-li2 |
1. Teaching and Research Group of Chemistry, Northern Sichuan Medical College, Nanchong 637007, China
2. Department of Chemistry and Material Science, Sichuan Normal University, Chengdu 610066, China |
|
|
|
|
Abstract A theoretical study on three flavonoid compounds by semi-empirical method is presented in the present paper. Their geometric configurations were optimized by the semi-empirical method RHF/PM3. For all the optimal configurations, there is no imaginary frequency in vibrational analyses. On this basis, the electronic spectra were calculated by CIS method. All the calculated results are basically consistent with experimental values.
|
|
Received: 2005-08-08
Accepted: 2005-11-18
|
|
|
|
Corresponding Authors:
LIAO Xian-wei
|
|
| Cite this article: |
|
SU Yu,LIAO Xian-wei,LIU Shan, et al. Quantum Chemistry Study on Fluorescence Spectra of Three Flavonoid Compounds[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2006, 26(06): 1084-1087.
|
|
|
|
| URL: |
|
https://www.gpxygpfx.com/EN/Y2006/V26/I06/1084 |
[1] LIU Peng, CHEN Rong-feng, CHANG Jun-biao, et al(刘 澎，陈荣峰，常俊标，等). Chemical Journal of Chinese Universities(高等学校化学学报)，2000，21(11)：1671.
[2] LIAO Xian-wei, LIANG Xiao-qin, WANG Ying, et al(廖显威，梁晓琴，王 莹，等). Journal of Sichuan Normal University(Natural Science)(四川师范大学学报·自然科学版)，2002，25(6)：632.
[3] GAO Jin-ming(高锦明). Phytochemistry(植物化学). Beijing: Science Press(北京：科学出版社)，2003. 175.
[4] Hehre W J, Radom L, Pople J A. Ab Initio Molecular Orbital Theory. New York: John Wiley & Sons, 1986. 227.
[5] XU Guang-xian, LI Le-min, WANG De-min(徐光宪，黎乐民，王德民). Fundamental Principle of Quantum Chemistry and Ab Initio Calculation Method(量子化学基本原理与从头计算法·中册). Beijing: Science Press(北京：科学出版社)，1985. 786.
[6] Phytochemistry Research Group of Shanghai Institute of Medical Material，Chinese Academy of Sciences(Editing and Translating)(中国科学院上海药物研究所植物化学研究室编译). The Identification Manual of Flavonoid Compounds(黄酮体化合物鉴定手册). Beijing: Science Press(北京：科学出版社)，1981.
|
| [1] |
YANG Cheng-en1, 2, LI Meng3, LU Qiu-yu2, WANG Jin-ling4, LI Yu-ting2*, SU Ling1*. Fast Prediction of Flavone and Polysaccharide Contents in
Aronia Melanocarpa by FTIR and ELM[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 62-68. |
| [2] |
LEI Hong-jun1, YANG Guang1, PAN Hong-wei1*, WANG Yi-fei1, YI Jun2, WANG Ke-ke2, WANG Guo-hao2, TONG Wen-bin1, SHI Li-li1. Influence of Hydrochemical Ions on Three-Dimensional Fluorescence
Spectrum of Dissolved Organic Matter in the Water Environment
and the Proposed Classification Pretreatment Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 134-140. |
| [3] |
GU Yi-lu1, 2，PEI Jing-cheng1, 2*，ZHANG Yu-hui1, 2，YIN Xi-yan1, 2，YU Min-da1, 2, LAI Xiao-jing1, 2. Gemological and Spectral Characterization of Yellowish Green Apatite From Mexico[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 181-187. |
| [4] |
HAN Xue1, 2, LIU Hai1, 2, LIU Jia-wei3, WU Ming-kai1, 2*. Rapid Identification of Inorganic Elements in Understory Soils in
Different Regions of Guizhou Province by X-Ray
Fluorescence Spectrometry[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 225-229. |
| [5] |
WANG Hong-jian1, YU Hai-ye1, GAO Shan-yun1, LI Jin-quan1, LIU Guo-hong1, YU Yue1, LI Xiao-kai1, ZHANG Lei1, ZHANG Xin1, LU Ri-feng2, SUI Yuan-yuan1*. A Model for Predicting Early Spot Disease of Maize Based on Fluorescence Spectral Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3710-3718. |
| [6] |
CHENG Hui-zhu1, 2, YANG Wan-qi1, 2, LI Fu-sheng1, 2*, MA Qian1, 2, ZHAO Yan-chun1, 2. Genetic Algorithm Optimized BP Neural Network for Quantitative
Analysis of Soil Heavy Metals in XRF[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3742-3746. |
| [7] |
SONG Yi-ming1, 2, SHEN Jian1, 2, LIU Chuan-yang1, 2, XIONG Qiu-ran1, 2, CHENG Cheng1, 2, CHAI Yi-di2, WANG Shi-feng2，WU Jing1, 2*. Fluorescence Quantum Yield and Fluorescence Lifetime of Indole, 3-Methylindole and L-Tryptophan[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3758-3762. |
| [8] |
YANG Ke-li1, 2, PENG Jiao-yu1, 2, DONG Ya-ping1, 2*, LIU Xin1, 2, LI Wu1, 3, LIU Hai-ning1, 3. Spectroscopic Characterization of Dissolved Organic Matter Isolated From Solar Pond[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3775-3780. |
| [9] |
LI Xiao-li1, WANG Yi-min2*, DENG Sai-wen2, WANG Yi-ya2, LI Song2, BAI Jin-feng1. Application of X-Ray Fluorescence Spectrometry in Geological and
Mineral Analysis for 60 Years[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 2989-2998. |
| [10] |
XUE Fang-jia, YU Jie*, YIN Hang, XIA Qi-yu, SHI Jie-gen, HOU Di-bo, HUANG Ping-jie, ZHANG Guang-xin. A Time Series Double Threshold Method for Pollution Events Detection in Drinking Water Using Three-Dimensional Fluorescence Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3081-3088. |
| [11] |
MA Qian1, 2, YANG Wan-qi1, 2, LI Fu-sheng1, 2*, CHENG Hui-zhu1, 2, ZHAO Yan-chun1, 2. Research on Classification of Heavy Metal Pb in Honeysuckle Based on XRF and Transfer Learning[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2729-2733. |
| [12] |
JIA Yu-ge1, YANG Ming-xing1, 2*, YOU Bo-ya1, YU Ke-ye1. Gemological and Spectroscopic Identification Characteristics of Frozen Jelly-Filled Turquoise and Its Raw Material[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2974-2982. |
| [13] |
YANG Xin1, 2, XIA Min1, 2, YE Yin1, 2*, WANG Jing1, 2. Spatiotemporal Distribution Characteristics of Dissolved Organic Matter Spectrum in the Agricultural Watershed of Dianbu River[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2983-2988. |
| [14] |
CHEN Wen-jing, XU Nuo, JIAO Zhao-hang, YOU Jia-hua, WANG He, QI Dong-li, FENG Yu*. Study on the Diagnosis of Breast Cancer by Fluorescence Spectrometry Based on Machine Learning[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(08): 2407-2412. |
| [15] |
ZHU Yan-ping1, CUI Chuan-jin1*, CHENG Peng-fei1, 2, PAN Jin-yan1, SU Hao1, 2, ZHANG Yi1. Measurement of Oil Pollutants by Three-Dimensional Fluorescence
Spectroscopy Combined With BP Neural Network and SWATLD[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(08): 2467-2475. |
|
|
|
|
