Citation: WU Xiao-Jing, DAI Yun, ZHANG Nan, LI Jing. Analysis and Assignment of the Fluorescence Spectra of a Salt/Methanol System[J]. Acta Physico-Chimica Sinica, ;2011, 27(11): 2535-2540. doi: 10.3866/PKU.WHXB20111006 shu

Analysis and Assignment of the Fluorescence Spectra of a Salt/Methanol System

WU Xiao-Jing ^1, ,
DAI Yun ¹ ,
ZHANG Nan ¹ ,
LI Jing ²

1.
1. School of Chemical Engineering, Hefei University of Technology, Hefei 230009, P. R. China;
2. Institute for Geoanalysis of Anhui Province, Hefei 230001, P. R. China

Received Date: 17 June 2011
Available Online: 16 August 2011

Fluorescence spectra of CaCl₂, LiCl, and Ca(NO₃)₂ in methanol were investigated and the structures and excitation energy of possible clusters were optimized by density functional theory (DFT) and time-dependent (TD) DFT theory with B3LYP method. Experimental results indicate that CaCl₂ and LiCl are connected to methanol as clusters with od fluorescence properties. A strong increase in fluorescence intensity of CaCl₂ and LiCl solutions was observed upon increasing their concentrations. The interaction between Ca(NO₃)₂ and methanol causes the fluorescence quenching of methanol. The results of the theoretical calculation show that [CaCl(CH₃OH)_n]⁺ and LiCl(CH₃OH)_n clusters strengthen the fluorescence intensity of the salt methanol solution and the oscillator strength of NO₃^- and the methanol clusters is almost zero. This illustrates the fluorescence quenching phenomenon of the NO₃^- anion and methanol.
- Density functional theory,
- Salt/methanol cluster,
- Fluorescence quenching,
- Excitation wavelength
1. [1]
  (1) Muhuri, P. K.; Das, B.; Hazra, D. K. J. Phys. Chem. B 1997, 101, 3329.
2. [2]
  (2) Bush, M. F.; Saykally, R. J.;Williams, E. R. J. Am. Chem. Soc. 2008, 130, 15482.
3. [3]
  (3) Johansson, P. Phys. Chem. Chem. Phys. 2007, 9, 1493.
4. [4]
  (4) Megyes, T.; Grósz, T.; Radnai, T.; Bakó, I.; Pálinkás, G. J. Phys. Chem. A 2004, 108, 7261.
5. [5]
  (5) Pagliai, M.; Cardini, G.; Schettino, V. J. Phys. Chem. B 2005, 109, 7475.
6. [6]
  (6) Megyes, T.; Bálint, S.; Bakó, I.; Grósz, T.; Radnai, T.; Pálinkás, G. Chem. Phys. 2006, 327, 415.
7. [7]
  (7) Torii, H. J. Phys. Chem. A 1999, 103, 2843.
8. [8]
  (8) Yu, X. C.; Lin, K.; Hu, N. Y.; Zhou, X. G.; Liu, S. L. Acta Phys. -Chim. Sin. 2010, 26, 2473.
9. [9]
  [余小春, 林珂, 胡乃银, 周晓国, 刘世林. 物理化学学报, 2010, 26, 2473.]
10. [10]
  (9) Wahab, A.; Mahiuddin, S. J. Chem. Eng. Data 2009, 54, 436.
11. [11]
  (10) Dr?ssler, P.; Holzer,W.; Penzkofer, A.; Hegemann, P. Chem. Phys. 2003, 286, 409.
12. [12]
  (11) Jiang, Z.; Deng, R.; Tang, L.; Lu, P. Sens. Actuators B Chem. 2008, 135, 128.
13. [13]
  (12) Welland, A. D.; Schneider, F.W.; Parusel, A. B. J. Chem. Phys. 1999, 240, 403.
14. [14]
  (13) Chen, G. Q.; Zhu, T.; Yu, R. P.;Wu, Y. M.; Liu, Y.; Ni, X.W. Opto-Electronic Engineering 2005, 32, 31.
15. [15]
  [陈国庆, 朱拓, 虞锐鹏, 吴亚敏, 刘莹, 倪晓武. 光电工程, 2005, 32, 31.]
16. [16]
  (14) Zhu, T.; Chen, G. Q.; Yu, R. P.; Liu, Y.; Ni, X.W. Laser Technology 2005, 29, 470.
17. [17]
  [朱拓, 陈国庆, 虞锐鹏, 刘莹, 倪晓武. 激光技术, 2005, 29, 470.]
18. [18]
  (15) Zhu, T.; Chen, G. Q.; Yu, R. P.; Liu, Y.; Ni, X.W. Opt Tech. 2006, 32, 11.
19. [19]
  [朱拓, 陈国庆, 虞锐鹏, 刘莹, 倪晓武. 光学技术, 2006, 32, 11.]
20. [20]
  (16) Chen, X. J.; Zhu, T. Acta Photonica Sinica 2008, 37, 1433.
21. [21]
  [陈肖静, 朱拓. 光子学报, 2008, 37, 1433.]
22. [22]
  (17) Zhao, Y. P.; Ai, H. Q.; Chen, J. P.; Yang, A. B.; Qi, Z. N. Acta Phys. -Chim. Sin. 2010, 26, 3322.
23. [23]
  [赵永平, 艾洪奇, 陈金鹏, 杨爱彬, 齐中囡. 物理化学学报, 2010, 26, 3322.]
24. [24]
  (18) Pour, N.; fer, Y.; Major, D. T.; Aurbach, D. J. Am. Chem. Soc. 2011, 133, 6270.
25. [25]
  (19) Furukawa, K.; Ohashi, K.; Imamura, T.; Sasaki, J.; Judai, K. Chem. Phys. Lett. 2010, 495, 8.
26. [26]
  (20) Fan, Y. B.; Gao, Y. Q. Acta Phys. -Chim. Sin. 2010, 26, 1034.
27. [27]
  [范育波, 高毅勤. 物理化学学报, 2010, 26, 1034,]
28. [28]
  (21) Casey, G.;Wentworth, G. R.; Hamilton, I. P.; Al-Abadleh, H. A. Computational and Theoretical Chemistry 2011, 965, 346.
29. [29]
  (22) Pye, C. C.; Rudolph,W.; Poirier, R. A. J. Phys. Chem. 1996, 100, 601.
30. [30]
  (23) Eilmes, A. J. Mol. Struct. -Theochem 2009, 915, 141.
31. [31]
  (24) Ohno, K.; Shimoaka, T.; Akai, N.; Katsumoto, Y. J. Phys. Chem. A 2008, 112, 7342.
32. [32]
  (25) Chen, Y. Y.;Wu, X. J.; Li, F. PTCA (Part B : Chem . Anal.) 2008, 44, 310.
33. [33]
  [陈园园, 吴晓静, 李发. 理化检验, 2008, 44, 310.]
34. [34]
  (26) Hay, B. P.; Gutowski, M.; Dixon, D. A.; Garza, J.; Vargas, R.; Moyer, B. A. J. Am. Chem. Soc. 2004, 126, 7925.
35. [35]
  (27) Marcus, Y.; Hefter, G. Chem. Rev. 2006, 106, 4585.
1. [1]
  Hao XU , Ruopeng LI , Peixia YANG , Anmin LIU , Jie BAI . Regulation mechanism of halogen axial coordination atoms on the oxygen reduction activity of Fe-N₄ site: A density functional theory study. Chinese Journal of Inorganic Chemistry, 2025, 41(4): 695-701. doi: 10.11862/CJIC.20240302
2. [2]
  Jie ZHAO , Huili ZHANG , Xiaoqing LU , Zhaojie WANG . Theoretical calculations of CO₂ capture and separation by functional groups modified 2D covalent organic framework. Chinese Journal of Inorganic Chemistry, 2025, 41(2): 275-283. doi: 10.11862/CJIC.20240213
3. [3]
  Meifeng Zhu , Jin Cheng , Kai Huang , Cheng Lian , Shouhong Xu , Honglai Liu . Classical Density Functional Theory for Understanding Electrochemical Interface. University Chemistry, 2025, 40(3): 148-152. doi: 10.12461/PKU.DXHX202405166
4. [4]
  Kaifu Zhang , Shan Gao , Bin Yang . Application of Theoretical Calculation with Fun Practice in Raman Spectroscopy Experimental Teaching. University Chemistry, 2025, 40(3): 62-67. doi: 10.12461/PKU.DXHX202404045
5. [5]
  Jie ZHAO , Sen LIU , Qikang YIN , Xiaoqing LU , Zhaojie WANG . Theoretical calculation of selective adsorption and separation of CO₂ by alkali metal modified naphthalene/naphthalenediyne. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 515-522. doi: 10.11862/CJIC.20230385
6. [6]
  Lulu DONG , Jie LIU , Hua YANG , Yupei FU , Hongli LIU , Xiaoli CHEN , Huali CUI , Lin LIU , Jijiang WANG . Synthesis, crystal structure, and fluorescence properties of Cd-based complex with pcu topology. Chinese Journal of Inorganic Chemistry, 2025, 41(4): 809-820. doi: 10.11862/CJIC.20240171
7. [7]
  Maitri Bhattacharjee , Rekha Boruah Smriti , R. N. Dutta Purkayastha , Waldemar Maniukiewicz , Shubhamoy Chowdhury , Debasish Maiti , Tamanna Akhtar . Synthesis, structural characterization, bio-activity, and density functional theory calculation on Cu(Ⅱ) complexes with hydrazone-based Schiff base ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1409-1422. doi: 10.11862/CJIC.20240007
8. [8]
  Xiaochen Zhang , Fei Yu , Jie Ma . 多角度数理模拟在电容去离子中的前沿应用. Acta Physico-Chimica Sinica, 2024, 40(11): 2311026-. doi: 10.3866/PKU.WHXB202311026
9. [9]
  Weina Wang , Lixia Feng , Fengyi Liu , Wenliang Wang . Computational Chemistry Experiments in Facilitating the Study of Organic Reaction Mechanism: A Case Study of Electrophilic Addition of HCl to Asymmetric Alkenes. University Chemistry, 2025, 40(3): 206-214. doi: 10.12461/PKU.DXHX202407022
10. [10]
  Huan LI , Shengyan WANG , Long Zhang , Yue CAO , Xiaohan YANG , Ziliang WANG , Wenjuan ZHU , Wenlei ZHU , Yang ZHOU . Growth mechanisms and application potentials of magic-size clusters of groups Ⅱ-Ⅵ semiconductors. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1425-1441. doi: 10.11862/CJIC.20240088
11. [11]
  Yanglin Jiang , Mingqing Chen , Min Liang , Yige Yao , Yan Zhang , Peng Wang , Jianping Zhang . Experimental and Theoretical Investigations of Solvent Polarity Effect on ESIPT Mechanism in 4′-N,N-diethylamino-3-hydroxybenzoflavone. Acta Physico-Chimica Sinica, 2025, 41(2): 100012-. doi: 10.3866/PKU.WHXB202309027
12. [12]
  Lubing Qin , Fang Sun , Meiyin Li , Hao Fan , Likai Wang , Qing Tang , Chundong Wang , Zhenghua Tang . 原子精确的(AgPd)₂₇团簇用于硝酸盐电还原制氨：一种配体诱导策略来调控金属核. Acta Physico-Chimica Sinica, 2025, 41(1): 2403008-. doi: 10.3866/PKU.WHXB202403008
13. [13]
  Qin Hou , Jiayi Hou , Aiju Shi , Xingliang Xu , Yuanhong Zhang , Yijing Li , Juying Hou , Yanfang Wang . Preparation of Cuprous Iodide Coordination Polymer and Fluorescent Detection of Nitrite: A Comprehensive Chemical Design Experiment. University Chemistry, 2024, 39(8): 221-229. doi: 10.3866/PKU.DXHX202312056
14. [14]
  Qingjun PAN , Zhongliang GONG , Yuwu ZHONG . Advances in modulation of the excited states of photofunctional iron complexes. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 45-58. doi: 10.11862/CJIC.20240365
15. [15]
  Yan Li , Xinze Wang , Xue Yao , Shouyun Yu . 基于激发态手性铜催化的烯烃E→Z异构的动力学拆分——推荐一个本科生综合化学实验. University Chemistry, 2024, 39(5): 1-10. doi: 10.3866/PKU.DXHX202309053
16. [16]
  Yan ZHAO , Xiaokang JIANG , Zhonghui LI , Jiaxu WANG , Hengwei ZHOU , Hai GUO . Preparation and fluorescence properties of Eu³⁺-doped CaLaGaO₄ red-emitting phosphors. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1861-1868. doi: 10.11862/CJIC.20240242
17. [17]
  Xiao Liu , Guangzhong Cao , Mingli Gao , Hong Wu , Hongyan Feng , Chenxiao Jiang , Tongwen Xu . Seawater Salinity Gradient Energy’s Job Application in the Field of Membranes. University Chemistry, 2024, 39(9): 279-282. doi: 10.3866/PKU.DXHX202306043
18. [18]
  Xinyu Liu , Weiran Hu , Zhengkai Li , Wei Ji , Xiao Ni . Algin Lab: Surging Luminescent Sea. University Chemistry, 2024, 39(5): 396-404. doi: 10.3866/PKU.DXHX202312021
19. [19]
  Xinyu Zhu , Meili Pang . Application of Functional Group Addition Strategy in Organic Synthesis. University Chemistry, 2024, 39(3): 218-230. doi: 10.3866/PKU.DXHX202308106
20. [20]
  Zongfei YANG , Xiaosen ZHAO , Jing LI , Wenchang ZHUANG . Research advances in heteropolyoxoniobates. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 465-480. doi: 10.11862/CJIC.20230306

Get Citation

PDF

XML

Metrics

PDF Downloads(870)
Abstract views(2534)
HTML views(9)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142