| 光谱学与光谱分析 |
|
|
|
|
|
| Mechanism Study on the Extraction of Nonylphenol by Ionic Liquids in Water Through IR Spectroscopy and Quantum Chemical Calculation |
| FU Xin-mei1, WANG Lei2, DAI Shu-gui3 |
1. College of Environmental Engineering & Resources, Southwest University of Science and Technology, Mianyang 621010, China
2. Key Laboratory of Pollution Processes and Environmental Criteria (Nankai University), Tianjin 300071, China
3. College of Environmental Science & Engineering, Nankai University, Tianjin 300071, China |
|
|
|
|
Abstract The interaction mechanism of the typical ionic liquid (IL) 1-methyl-3-butyl imidazolium hexafluorophosphate ([PF6]), imidazolium ionic liquid with hydroxyl group and nonylphenol (NP) was studied through infrared (IR) spectroscopy and quantum chemical calculations for density functional theory. The results indicated the hydrogen bonds could not be found in the IR spectra before and after IL [PF6] extracting NP while the absorption peaks of the hydroxyl group of the ILs containing hydroxyl group have red shifts after the ILs extracting NP. It could be seen in the theoretical calculation that the cation + of [PF6] has the C—H…O hydrogen bond interaction with NP. The O—H…O type hydrogen bond could also be formed between the cation [C4H9OHIM]+ of the IL with hydroxyl group and NP. It could be concluded through the two mechanism study methods that the strength of hydrogen bond between the IL with hydroxyl group and NP was bigger than the one between the typical IL [PF6] and NP, followed by the bigger extraction efficiency of NP by the former, which coincided with the extraction experiment result.
|
|
Received: 2010-05-10
Accepted: 2010-08-20
|
|
|
|
Corresponding Authors:
FU Xin-mei
E-mail: fuxinmei68@yahoo.com.cn
|
|
[1] Fu Xinmei, Dai Shugui, Zhang Yu. International Journal of Environmental Analytical Chemistry, 2006, 86(13): 985.
[2] FU Xin-mei, DAI Shu-gui, ZHANG Yu(付新梅, 戴树桂, 张 余). Chinese Journal of Analytical Chemistry(分析化学), 2006，34(5): 598.
[3] FU Xinmei, DAI Shugui. Abstracts of Papers of the American Chemical Society, 236th National Meeting of the American-Chemical-Society，Philadelphia, PA, AUG, 2008. 17.
[4] WANG Liang, YAN Yong-sheng, LI Hua-ming et al(王 良, 闫永胜, 李华明, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析)，2010，30(2): 391.
[5] Hanke C G, Johansson A, Harper J B, et al. Chem. Phys. Lett., 2003, 374: 85.
[6] Holbrey J H, Reichert W M, Nieuwenhuyzen M, et al. Chem. Commun., 2003, 476.
[7] Fuller J, Carlin R T, Long H C D, et al. J. Chem. Soc., Chem.Commun., 1994, 299.
[8] Zhang Qingguo, Wang Nannan, Yu Zhiwu. J. Phys. Chem. B, 2010, 114: 4747.
[9] Yan Yunan, Petkovic M, Gireesh M Krishnan, et al. Journal of Molecular Structure, 2010, 972: 68.
[10] Beatriz Martin-Llorente, Delia Fernandez-Torre and Rafael Escribano. Chem. Phys. Chem., 2009, 10: 3229.
[11] WAN Hui, WANG Xiao-lu, GUAN Guo-feng(万 辉, 王小露 , 管国锋). Chemical Journal of Chinese Universities(高等学校化学学报), 2009, 30(8): 1615.
[12] Sun Hui, Qiao Baofu, Zhang Dongju, et al. J. Phys. Chem. A, 2010, 114: 3990.
[13] Michal K Cyranski, Aneta Jezierska, Paulina Klimentowska, et al. J. Phys. Org. Chem., 2008, 21: 472.
[14] Stephan Raub, Christel M Marian. Journal of Computational Chemistry, 2007, 28(9): 1503.
[15] Shigeaki Morita, Kuniyuki Kitagawa, Yukihiro Ozaki. Vibrational Spectroscopy, 2009, 51: 28.
|
| [1] |
XU Rong1, AO Dong-mei2*, LI Man-tian1, 2, LIU Sai1, GUO Kun1, HU Ying2, YANG Chun-mei2, XU Chang-qing1. Study on Traditional Chinese Medicine of Lonicera L. Based on Infrared Spectroscopy and Cluster Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3518-3523. |
| [2] |
LI Chen-xi1, SUN Ze-yu1, 2, ZHAO Yu2*, YIN Li-hui2, CHEN Wen-liang1, 3, LIU Rong1, 3, XU Ke-xin1, 3. The Research Progress of Two-Dimensional Correlation Spectroscopy and Its Application in Protein Substances Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(07): 1993-2001. |
| [3] |
ZHU Xiang1, 2, YUAN Chao-sheng2, LIANG Yong-fu2, WANG Zheng2, LI Hai-ning2, HUANGFU Zhan-biao1, ZHOU Song1, ZHOU Bo1, DONG Xing-bang1, CHENG Xue-rui2*, YANG Kun1*. Study on the Effect of Cooling Rate on Crystallization Process and
Product of [C12mim][BF4] Melt Based on POM, Raman and SAXS[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(03): 801-805. |
| [4] |
ZHU Xiang1, 2*, YUAN Chao-sheng1, CHENG Xue-rui1, LI Tao1, ZHOU Song1, ZHANG Xin1, DONG Xing-bang1, LIANG Yong-fu2, WANG Zheng2. Study on Performances of Transmitting Pressure and Measuring Pressure of [C4mim][BF4] by Using Spectroscopic Techniques[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(06): 1674-1678. |
| [5] |
ZHANG Dian-kai1, LI Yan-hong1*, ZI Chang-yu1, ZHANG Yuan-qin1, YANG Rong1, TIAN Guo-cai2, ZHAO Wen-bo1. Molecular Structure and Molecular Simulation of Eshan Lignite[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(04): 1293-1298. |
| [6] |
TIAN Peng1, XIAO Xue-song1, SU Gui-tian1, DUAN Han-feng1，JIN Yao-dong1, SONG Yang-yang1, HUANG Tao2, ZHANG Hang1*. Fluorescence Spectra Analysis of N-n-Octyl Oyridine Acetate Ionic Liquid in Different Solvents[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(01): 147-151. |
| [7] |
SUN Yan-hua1, 2, FAN Yong-tao1, 2*. Correction of Temperature Influence in Near Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2020, 40(06): 1690-1695. |
| [8] |
LIU Na1, YUAN Wei2，3, WANG Hua-ping2，3. Studies on Plasticized Cellulose Diacetate with Ionic Liquid by Fourier Transform Infrared Spectroscopy (FTIR) and Two-Dimensional Correlation Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2020, 40(06): 1796-1803. |
| [9] |
WEI Gang1, GU Zheng-ye1, GONG Shui-shui1, GUANG Shan-yi2, KE Fu-you1, XU Hong-yao1*. Determination of the Oxidizability on the Surface of the Graphene Oxide Layer by Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2020, 40(06): 1722-1727. |
| [10] |
CAO Hai-qing, HAN Tong-shuai, LIU Xue-yu, LIU Jin*. Extracting Linear Attenuance of Analyte in Turbid Scattering Media and Prediction Model Transfer Based Thereon[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2019, 39(12): 3711-3717. |
| [11] |
FU Sai1, LIN Long-fei1, LIU Yu-ling1, SONG Ji-zheng1, SHAO Jin-xin2, ZHONG Ming3, XIE Tang-gui3, LI Hui1*. Rapid Determination of Water Content in Refined Honey Used as Key Excipient to Form Pills Based on Near Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2019, 39(08): 2590-2594. |
| [12] |
WANG Lin-na, CHENG Ya-wen, LIU Ke, ZHANG Xiu-ling*. The Stability of Ionic Liquids in DBD Plasma under Atmospheric Pressure[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2019, 39(05): 1372-1376. |
| [13] |
LIU Yan-de, YE Ling-yu, TANG Tian-yi, OUYANG Ai-guo, SUN Xu-dong, ZHANG Yu. Determination of Performance of Different Concentration Ethanol Diesel Oil Based on Mid Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(09): 2741-2748. |
| [14] |
ZHANG Xian-jie1, LI Lin-fei1, LI Yan1, 2, LI Jian1, 2*, HUA Yi-xin1, 2, XU Cun-ying1, 2, ZHANG Qi-bo1, 2. The Coordination Complexes of Cr(Ⅲ) in [1ChCl∶2EG]/CrCl3·6H2O ILs[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(04): 1225-1230. |
| [15] |
SUN Cui-ying, HAN Tong-shuai, GUO Chao, SHENG Wei-nan, LIU Jin*. The Correction Methods for Near Infrared Spectrum of Glucose Aqueous Solution to Reduce the Influence from Temperature[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(11): 3391-3398. |
|
|
|
|
