Citation: YANG Fan, YU Peng-Yun, ZHAO Juan, ZHAO Yan, WANG Jian-Ping. Intermolecular Hydrogen Bonding Structural Dynamics in Ethylene Glycol by Femtosecond Nonlinear Infrared Spectroscopy[J]. Acta Physico-Chimica Sinica, ;2015, 31(7): 1275-1282. doi: 10.3866/PKU.WHXB201504211 shu

Intermolecular Hydrogen Bonding Structural Dynamics in Ethylene Glycol by Femtosecond Nonlinear Infrared Spectroscopy

YANG Fan ¹ ,
YU Peng-Yun ^1,2 ,
ZHAO Juan ¹ ,
ZHAO Yan ³ ,
WANG Jian-Ping ^1,

1.
1 Beijing National Laboratory for Molecular Sciences, Molecular Reaction Dynamics Laboratory, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China;
2 University of Chinese Academy of Sciences, Beijing 100049, P. R. China;
3 College of Physics & Electronics Engineering, Shanxi University, Taiyuan 030006, P. R. China

Received Date: 14 January 2015
Available Online: 21 April 2015
Fund Project: 国家自然科学基金(21103200, 20727001, 91121020) (21103200, 20727001, 91121020)中国科学院重大科研装备研制项目(Y2201220)资助 (Y2201220)

In this work, we examined the structural and ―OH stretching vibrational dynamics of ethylene glycol (EG) solvated in acetonitrile (MeCN), acetone (AC), tetrahydrofuran (THF), and dimethylsulfoxide (DMSO) using steady-state linear infrared (IR) spectroscopy and ultrafast pump-probe IR spectroscopy. The results suggested that the frequency position, bandwidth, and vibrational relaxation of the ―OH stretching vibration that participate in the formation of intermolecular hydrogen bonds (IHBs) were strongly influenced by the type of solvent. At least two types of IHBs were detected in the EG solution including clustered solute-solute IHBs and solute-solvent IHBs. Quantum chemical calculations predicted a similar solvent dependence of the ―OH stretching vibrational frequency to that observed in the IR experiments. Furthermore, we found that the IHB-involved ―OH stretching mode in the case of solute-solvent clusters displayed the slowest population relaxation dynamics in the case of EG in MeCN. The relaxation became slightly faster in AC and even faster in THF. The fastest dynamics was observed in the case of EG in DMSO. However, in each solvent environment examined, the IHB-involved ―OH stretching mode in the solute-solute cluster displayed the fastest population relaxation. The results obtained in this study provide further insights into different IHB structural dynamics in co-existing solute-solute and solutesolvent clusters.
- Ethylene glycol,
- Ultrafast pump-probe infrared spectroscopy,
- Solute-solvent cluster,
- Intermolecular hydrogen bond,
- Vibrational relaxation
1. [1]
  
  (1) Nelson, H. C. M.; Finch, J. T.; Luisi, B. F.; Klug, A. Nature 1987, 330 (6145), 221. doi: 10.1038/330221a0
2. [2]
  (2) Sundaralingam, M.; Sekharudu, Y. C. Science 1989, 244 (4910), 1333. doi: 10.1126/science.2734612
3. [3]
  (3) Foti, M. C.; Barclay, L. R. C.; In ld, K. U. J. Am. Chem. Soc. 2002, 124 (43), 12881. doi: 10.1021/ja020757l
4. [4]
  (4) Kim, S. G.; Kim, K. H.; Kim, Y. K.; Shin, S. K.; Ahn, K. H. J. Am. Chem. Soc. 2003, 125 (45), 13819. doi: 10.1021/ja037031p
5. [5]
  (5) Clarkson, J. R.; Baquero, E.; Shubert, V. A.; Myshakin, E. M.; Jordan, K. D.; Zwier, T. S. Science 2005, 307 (5714), 1443. doi: 10.1126/science.1106977
6. [6]
  (6) Markle, T. F.; Mayer, J. M. Angew. Chem. 2008, 120 (4), 750.
7. [7]
  (7) Stillinger, F. H. Science 1980, 209 (4455), 451. doi: 10.1126/science.209.4455.451
8. [8]
  (8) Deàk, J. C.; Rhea, S. T.; Iwaki, L. K.; Dlott, D. D. J. Phys. Chem. A 2000, 104 (21), 4866. doi: 10.1021/jp994492h
9. [9]
  (9) Woutersen, S.; Emmerichs, U.; Bakker, H. J. Science 1997, 278 (5338), 658. doi: 10.1126/science.278.5338.658
10. [10]
  (10) Kropman, M. F.; Nienhuys, H. K.; Woutersen, S.; Bakker, H. J. J. Phys. Chem. A 2001, 105 (19), 4622. doi: 10.1021/jp010057n
11. [11]
  (11) Kropman, M. F.; Bakker, H. J. Science 2001, 291 (5511), 2118. doi: 10.1126/science.1058190
12. [12]
  (12) Woutersen, S.; Bakker, H. J. Nature 1999, 402 (6761), 507. doi: 10.1038/990058
13. [13]
  (13) Bakker, H. J.; Woutersen, S.; Nienhuys, H. K. Chem. Phys. 2000, 258 (2-3), 233.
14. [14]
  (14) Piletic, I. R.; Moilanen, D. E.; Levinger, N. E.; Fayer, M. D. J. Am. Chem. Soc. 2006, 128 (32), 10366. doi: 10.1021/ja062549p
15. [15]
  (15) Fecko, C. J.; Loparo, J. J.; Roberts, S. T.; Tokmakoff, A. J. Chem. Phys. 2005, 122 (5), 054506. doi: 10.1063/1.1839179
16. [16]
  (16) Bakker, H. J.; Gilijamse, J. J.; Lock, A. J. ChemPhysChem 2005, 6 (6), 1146.
17. [17]
  (17) Roberts, S. T.; Ramasesha, K.; Tokmakoff, A. Accounts Chem. Res. 2009, 42 (9), 1239. doi: 10.1021/ar900088g
18. [18]
  (18) Li, Q.; Wu, G.; Yu, Z. J. Am. Chem. Soc. 2006, 128 (5), 1438. doi: 10.1021/ja0569149
19. [19]
  (19) Li, Q.; Wang, N.; Yu, Z. Journal of Molecular Structure- Theorem 2008, 862 (1-3), 74.
20. [20]
  (20) Li, D.; Yang, F.; Han, C.; Zhao, J.; Wang, J. J. Phys. Chem. Lett. 2012, 3 (23), 3665. doi: 10.1021/jz301652v
21. [21]
  (21) Woutersen, S.; Emmerichs, U.; Bakker, H. J. J. Chem. Phys. 1997, 107 (5), 1483. doi: 10.1063/1.474501
22. [22]
  (22) Asbury, J. B.; Steinel, T.; Stromberg, C.; Gaffney, K. J.; Piletic, I. R.; Fayer, M. D. J. Chem. Phys. 2003, 119 (24), 12981.
23. [23]
  (23) Laenen, R.; Simeonidis, K. Chem. Phys. Lett. 1999, 299 (6), 589. doi: 10.1016/S0009-2614(98)01303-7
24. [24]
  (24) Nagy, P. I.; Dunn, W. J.; Ala na, G.; Ghio, C. J. Am. Chem. Soc. 1992, 114 (12), 4752. doi: 10.1021/ja00038a044
25. [25]
  (25) Trindle, C.; Crum, P.; Douglass, K. J. Phys. Chem. A 2003, 107 (32), 6236. doi: 10.1021/jp034598j
26. [26]
  (26) Foti, M. C.; DiLabio, G. A.; In ld, K. U. J. Am. Chem. Soc. 2003, 125 (47), 14642. doi: 10.1021/ja036168c
27. [27]
  (27) Lopes Jesus, A. J.; Rosado, M. T. S.; Leitão, M. L. P.; Redinha, J. S. J. Phys. Chem. A 2003, 107 (19), 3891. doi: 10.1021/jp027123l
28. [28]
  (28) Crittenden, D. L.; Thompson, K. C.; Jordan, M. J. T. J. Phys. Chem. A 2005, 109 (12), 2971. doi: 10.1021/jp045233h
29. [29]
  (29) Han, C.; Zhao, J.; Yang, F.; Wang, J. J. Phys. Chem. A 2013, 117 (29), 6105. doi: 10.1021/jp400096a
30. [30]
  (30) Crupi, V.; Maisano, G.; Majolino, D.; Migliardo, P.; Venuti, V. J. Phys. Chem. A 2000, 104 (17), 3933. doi: 10.1021/jp993900e
31. [31]
  (31) Ma, X.; Wang, J. J. Phys. Chem. A 2009, 113 (21), 6070. doi: 10.1021/jp9016085
32. [32]
  (32) Olschewski, M.; Lindner, J.; Vöhringer, P. Angew. Chem. Int. Edit. 2013, 52 (9), 2602. doi: 10.1002/anie.v52.9
33. [33]
  (33) Liu, Y. L.; Yang, F.; Wang, J. P. Acta Chim. Sin. 2013, 71(5), 761. [刘英亮, 杨帆, 王建平. 化学学报, 2013, 71 (5), 761.] doi: 10.6023/A13020166
34. [34]
  (34) Yang, F.; Liu, Y. L.; Wang, J. P. Acta Phys. -Chim. Sin. 2012, 28 (4), 759. [杨帆, 刘英亮, 王建平. 物理化学学报, 2012, 28 (4), 759.] doi: 10.3866/PKU.WHXB201202023
35. [35]
  (35) Reed, A. E.; Weinhold, F. J. Chem. Phys. 1983, 78 (6), 4066. doi: 10.1063/1.445134
36. [36]
  (36) Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83 (2), 735. doi: 10.1063/1.449486
37. [37]
  (37) Frisch, M. J.; Trucks, G.W.; Schlegel, H. B.; et al. Gaussian 09, Revision A. 02; Gaussian Inc.: Pittsburgh, PA, 2009.
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