The Fluorescnece Lifetime and Quantum Chemistry Calculation of Ethyl Caproate and Ethyl Acetate
ZHANG Xiao-he1, 2, MA Chao-qun1, 2*, CHEN Guo-qing1, 2, LIU Huai-bo1, 2, ZHU Chun1, 2, SONG Xin-shu1, 2, ZHU Cong-hai1, 2
1. School of Science, Jiangnan University，Wuxi 214122，China
2. Jiangsu Provincial Research Center of Light Industrial Optoelectronic Engineering and Technology，Wuxi 214122，China
Abstract：This paper presents a method for quantitative analysis of the volume ratios of various substances in mixtures using fluorescence lifetime. The two kinds of fluorescent materials, ethyl caproate and ethyl acetate, were selected as standard samples. The spectral overlap of thyl caproate and ethyl acetate was 78%. For materials with high overlap of fluorescence emission spectra, it was difficult to make quantitative analysis with the combination of ordinary fluorescence with algorithm, because their overlap of fluorescence emission spectra was serious. The molecular structure of the two substances was quantified by quantum chemistry. The life time of ethyl caproate was 1.0 ns and the ethyl acetate was 5.3 ns. However, their fluorescence decay curves were obviously different. Therefore, this paper did quantitative analysis to them through time resolved fluorescence spectrometry. By analyzing the change trend of the fluorescence lifetime curve of the two substances at different volume ratios, a prediction model of fluorescence lifetime and volume ratio of two substances was established and tested. The experimental results showed that the method can achieve the measurement of the volume ratio of the mixed solution, and the mean residuals were controlled within 1%, which had certain practical value.
[1] Chen Y, Li F, Guo J. Journal of Industrial Microbiology & Biotechnology, 2014, 41(3): 563.
[2] Plata C, Millán C, Mauricio J C. Food Microbiology, 2003, 20(2): 217.
[3] Sumby K M, Grbin P R, Jiranek V. Food Chemistry, 2010, 121(1): 1.
[4] Yan Z, Zheng X W, Chen J Y. Journal of the Institute of Brewing, 2013, 119(1-2): 78.
[5] Vreuls J J, Cuppen W J G M, De Jong G J. Journal of Separation Science, 2015, 13(3): 157.
[6] ZHANG Jun-hua, LIN Lu, ZHANG Bei-xiao(张俊华，林 鹿，张蓓笑). Journal of South China University of Technology(华南理工大学学报), 2009, 37(12)：64.
[7] Ye Mengqi, Gao Zhenpeng, Yuan Yahong. Food Chemistry, 2016, 190: 701.
[8] NI Ying-rui, LI Zhong-xi, LI Hai-tao(倪迎瑞, 李中玺, 李海涛). Chinese J. Anal. Chem.(分析化学), 2011, 39(11): 1774.
[9] Parr R G, Yang W. Density-Functional Theory of Atoms and Molecules. New York: Oxford University Press, 1989. 47.
[10] ZHU Chun, ZHANG Yong, WU Jiang-chun(朱 纯, 张 咏, 伍建春). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2015, 35(3): 674.
[11] Suwa Y, Yamaji M, Okamoto H. Tetrahedron Letters, 2016, 57(15): 1695.
