Citation: ZHOU Yu, XU Jing, WANG Nan-Nan, YU Zhi-Wu. Excess Spectroscopy: Concept and Applications[J]. Acta Physico-Chimica Sinica, ;2016, 32(1): 239-248. doi: 10.3866/PKU.WHXB201511241 shu

Excess Spectroscopy: Concept and Applications

ZHOU Yu ¹ ,
XU Jing ¹ ,
WANG Nan-Nan ² ,
YU Zhi-Wu ^1,,

1.
1 Key Laboratory of Bioorganic Phosphorous Chemistry and Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing 100084, P. R. China;
2.
2 Key Laboratory of Science and Technology on Advanced Ceramic Fibers and Composites, College of Aerospace Science and Engineering, National University of Defense Technology, Changsha 410073, P. R. China

Corresponding author: YU Zhi-Wu,
Received Date: 19 October 2015
Available Online: 23 November 2015
Fund Project: 国家自然科学基金(21133009,21473099)资助项目 (21133009,21473099)

Excess spectroscopy was proposed following the idea of excess thermodynamic functions. It is complementary to classical excess functions because it provides rich information on molecular interactions. In this review, we introduce in detail the concept of excess spectroscopy and the measurement of excess spectra for the case of infrared spectroscopy. We then describe the merits of using excess spectroscopy to enhance apparent spectral resolution, judge the non-ideality of mixtures, determine the selectivity of molecular interactions, identify distinct species or clusters in solutions, and provide information related to charge distributions in molecules. Following this, we review the progress in methodology where excess spectroscopy is extended to partial molar excess spectroscopy and Raman spectroscopy. The extension of binary mixtures to pseudo binary mixtures and/or liquid samples to solid samples is also described. Finally, we discuss several recent applications of excess spectroscopy in the study of hydrogen-bonding interactions in ionic liquidmolecular solvent systems, halogen-bonding interactions in benzene derivative-dimethylsulfoxide (DMSO) mixtures, and interactions between inorganic cations/anions and water molecules. Clearly, excess spectroscopy has opened a new window through which we can view rich information about molecular interactions.
- Excess spectra,
- ATR-IR,
- Hydrogen bond,
- Halogen bond,
- Molecular interaction,
- Cluster,
- Species identification
1. [1]
  (1) Reichardt, C.; Welton, T. Solvents and Solvent Effects in Organic Chemistry, 4th ed; Wiley-VCH Verlag & Co. KGaA: Germany, Weinheim, 2011.
2. [2]
  (2) Zhou, K. B.; Li, Y. D. Angew. Chem. Int. Edit. 2012, 51, 602. doi: 10.1002/anie.201102619
3. [3]
  (3) Tang, F. Q.; Li, L. L.; Chen, D. Adv. Mater. 2012, 24, 1504. doi: 10.1002/adma.201104763
4. [4]
  (4) Czarnecki, M. A.; Czarnik-Matusewicz, B.; Ozaki, Y.; Iwahashi, M. J. Phys. Chem. A 2000, 104, 4906. doi: 10.1021/jp991753e
5. [5]
  (5) Fumino, K.; Wulf, A.; Ludwig, R. Angew. Chem. Int. Edit. 2008, 47, 8731. doi: 10.1002/anie.v47:45
6. [6]
  (6) Zheng, Y. Z.; Wang, N. N.; Luo, J. J.; Zhou, Y.; Yu, Z. W. Phys. Chem. Chem. Phys. 2013, 15, 18055. doi: 10.1039/c3cp53356e
7. [7]
  (7) Scatchard, G.; Hamer, W. J. J. Am. Chem. Soc. 1935, 57, 1805. doi: 10.1021/ja01313a016
8. [8]
  (8) Jiang, Y.; Liu, Y.; Sun, X. D.; Yu, Z. W. Thermochim. Acta 1991, 183, 99. doi: 10.1016/0040-6031(91)80449-S
9. [9]
  (9) Yu, Z. W.; Liu, Y.; Sun, X. D. J. Solution Chem. 1992, 21, 497. doi: 10.1007/BF00649702
10. [10]
  (10) Yu, Z. W.; Liu, Y.; Zhou, R.; Xue, F. Y. Sci. China Ser. B 2001, 44, 315. doi: 10.1007/BF02879622
11. [11]
  (11) Zhao, X.; Yu, Z. W.; Zhou, R.; Liu, Y. J. Chem. Eng. Data 2001, 46, 1258. doi: 10.1021/je0100600
12. [12]
  (12) Li, Q. Z.; Wu, G. S.; Yu, Z. W. J. Am. Chem. Soc. 2006, 128, 1438. doi: 10.1021/ja0569149
13. [13]
  (13) Li, Q. Z.; Wang, N. N.; Zhou, Q.; Sun. S. Q.; Yu, Z. W. Appl. Spectrosc. 2008, 62, 166. doi: 10.1366/000370208783575663
14. [14]
  (14) Yu, X. C.; Lin, K.; Hu, N. Y.; Zhou, X. G.; Liu, S. L. Acta Phys. -Chim. Sin. 2010, 26, 2473. [余小春, 林珂, 胡乃银, 周晓国, 刘世林. 物理化学学报, 2010, 26, 2473.] doi: 10.3866/PKU.WHXB20100922
15. [15]
  (15) Wang, C. C.; Lin, K.; Hu, N. Y.; Zhou, X. G.; Liu, S. L. Acta Phys. -Chim. Sin. 2012, 28, 1823. [王陈琛, 林珂, 胡乃银, 周晓国, 刘世林. 物理化学学报, 2012, 28, 1823.] doi: 10.3866/PKU.WHXB201205154
16. [16]
  (16) Weng, C. C. Fourier Transform Infrared Spectrometer; Chemical Industry Press: Beijing, 2005. [翁诗甫. 傅里叶变换红外光谱仪. 北京: 化学工业出版社, 2005.]
17. [17]
  (17) Hansen, W. N. Spectrochim. Acta 1965, 21, 815. doi: 10.1016/0371-1951(65)80039-X
18. [18]
  (18) Wang, N. N.; Zhang, Q. G.; Wu, F. G.; Li, Q. Z.; Yu, Z. W. J. Phys. Chem. B 2010, 114, 8689. doi: 10.1021/jp103438q
19. [19]
  (19) Wang, N. N.; Jia, Q.; Li, Q. Z.; Yu, Z. W. J. Mol. Struct. 2008, 883–884, 55.
20. [20]
  (20) Jia, Q.; Wang, N. N.; Yu, Z. W. Appl. Spectrosc. 2009, 63, 344.
21. [21]
  (21) Zhou, Y.; Zheng, Y. Z.; Sun, H. Y.; Deng, G.; Yu, Z. W. Sci. Rep. 2015, 5, 16379. doi: 10.1038/srep16379
22. [22]
  (22) Yang, X. G.; Wu, Q. L. The Analysis and Application of Raman Spectroscopy; National Defence of Industry Press: Beijing, 2008. [杨绪刚, 吴琪琳. 拉曼光谱的分析与应用. 北京: 国防工业出版社, 2008.]
23. [23]
  (23) Koga, Y.; Sebe, F.; Minami, T.; Otake, K.; Saitow, K. I.; Nishikawa, K. J. Phys. Chem. B 2009, 113, 11928.
24. [24]
  (24) Sebe, F.; Nishikawa, K.; Koga, Y. Phys. Chem. Chem. Phys. 2012, 14, 4433. doi: 10.1039/c2cp23255c
25. [25]
  (25) Sebe, F.; Nishikawa, K.; Koga, Y. J. Solution Chem. 2015, 44, 1833. doi: 10.1007/s10953-015-0376-3
26. [26]
  (26) Wang, N. N.; Wang, Y.; Cheng, H. F.; Tao, Z.; Wang, J.; Wu, W. Z. RSC Adv. 2013, 3, 20237. doi: 10.1039/c3ra42634c
27. [27]
  (27) Wang, N. N.; Li, Q. Z.; Yu, Z. W. Appl. Spectrosc. 2009, 63, 1356. doi: 10.1366/000370209790109049
28. [28]
  (28) Zhou, Y.; Zheng, Y. Z.; Sun, H. Y., Deng, G.; Yu, Z. W. J. Mol. Struct. 2014, 1069, 251. doi: 10.1016/j.molstruc.2014.02.027
29. [29]
  (29) Tong, H. J.; Yu, J. Y.; Zhang, Y. H.; Reid, J. P. J. Phys. Chem. A 2010, 114, 6795. doi: 10.1021/jp912180d
30. [30]
  (30) Corsetti, S.; Zehentbauer, F. M.; McGloin, D.; Kiefer, J. Fuel 2015, 141, 136. doi: 10.1016/j.fuel.2014.10.025
31. [31]
  (31) Zhang, Q. G.; Wang, N. N.; Yu, Z. W. J. Phys. Chem. B 2010, 114, 4747. doi: 10.1021/jp1009498
32. [32]
  (32) Zhang, Q. G.; Wang, N. N.; Wang, S. L.; Yu, Z. W. J. Phys. Chem. B 2011, 115, 11127. doi: 10.1021/jp204305g
33. [33]
  (33) Zheng, Y. Z.; He, H. Y.; Zhou, Y.; Yu, Z. W. J. Mol. Struct. 2014, 1069, 140. doi: 10.1016/j.molstruc.2014.01.013
34. [34]
  (34) He, H. Y.; Chen, H.; Zheng, Y. Z.; Zhang, X. C.; Yao, X. Q.; Yu, Z. W.; Zhang, S. J. Aust. J. Chem. 2013, 66, 50. doi: 10.1071/CH12308
35. [35]
  (35) He, H. Y.; Chen, H.; Zheng, Y. Z.; Zhang, S. J.; Yu, Z. W. Chem. Eng. Sci. 2015, 121, 169. doi: 10.1016/j.ces.2014.07.024
36. [36]
  (36) Kiefer, J.; Molina, M. M.; Noack, K. ChemPhysChem 2012, 13, 1213. doi: 10.1002/cphc.v13.5
37. [37]
  (37) Zheng, Y. Z.; Wang, N, N.; Zhou, Y.; Sun, H. Y.; Yu, Z. W. Phys. Chem. Chem. Phys. 2014, 16, 6946. doi: 10.1039/c3cp55451a
38. [38]
  (38) Zheng, Y. Z.; Deng, G.; Zhou, Y.; Sun, H. Y.; Yu, Z. W. ChemPhysChem 2015, 16, 2594. doi: 10.1002/cphc.v16.12
39. [39]
  (39) Dumas, J. M.; Gomel, M.; Guerin, M. Halides, Pseudo-Halides and Azides 1983, 2, 985.
40. [40]
  (40) Clark, T.; Hennemann, M.; Murray, J. S.; Politzer, P. J. Mol. Model. 2007, 13, 291. doi: 10.1007/s00894-006-0130–2
41. [41]
  (41) Politzer, P.; Murray, J. S. ChemPhysChem 2013, 14, 278. doi: 10.1002/cphc.201200799
42. [42]
  (42) Politzer, P.; Murray, J. S.; Clark, T. Phys. Chem. Chem. Phys. 2010, 12, 7748. doi: 10.1039/c004189k
43. [43]
  (43) Metrangolo, P.; Resnati, G.; Pilati, T.; Biella, S. Halogen Bonding in Crystal Engineering; Springer: Berlin Heidelberg, 2008.
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