IR spectrum and structure of protonated ethanol dimer: Implications for the mobility of excess protons in solution

Journal of the American Chemical Society

Volumn 126, Issue 31, 2004, Pages 9520-9521

  Solcà, Nicola ^a   Dopfer, Otto ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOL;

ARTICLE; CHEMICAL ANALYSIS; CLUSTER ANALYSIS; HYDROGEN BOND; INFRARED SPECTROMETRY; MASS SPECTROMETRY; PROTEIN LOCALIZATION; PROTEIN STRUCTURE; PROTON TRANSPORT; SOLVATION; STRUCTURE ANALYSIS;

EID: 3843060091     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja047760k     Document Type: Article

References (40)

1. (a) Marx, D.; Tuckerman, M. E.; Hutter, J.; Parrinello, M. Nature 1999, 397, 601.
2. (b) Cowin, J. P.; Tsekouras, A. A.; Iedema, M. J.; Wu, K.; Ellison, G. B. Nature 1999, 398, 405.
3. (c) Hynes, J. T. Nature 1999, 397, 565.
4. (d) Tuckerman, M. E.; Marx, D.; Klein, M. L.; Parrinello, M. Science 1997, 275, 817.
5. (e) Agmon, N. Chem. Phys. Lett. 1995, 244, 456.
6. (f) Rousseau, R.; Kleinschmidt, V.; Schmitt, U. W.; Marx, D. Phys. Chem. Chem. Phys. 2004, 6, 1848.
7. (g) Miyazaki, M.; Fujii, A.; Ebata, T.; Mikami, N. Science 2004, 304, 1134.
8. (h) Shin, J.-W.; Hammer, N. I.; Diken, E. G.; Johnson, M. A.; Walters, R. S.; Jaeger, T. D.; Duncan, M. A.; Christie, R. A.; Jordan, K. D. Science 2004, 304, 1137.
9. (i) Schuster, P.; Zundel, G.; Sandorfy, C. The Hydrogen Bond-Recent Developments in Theory and Experiments; North-Holland: Amsterdam, 1976; Vols. 1-3.
10. (k) Eigen, M. Angew. Chem., Int. Ed. Engl. 1964, 3, 1.
11. (a) Asmis, K. R.; Pivonka, N. L.; Santambrogio, G.; Brümmer, M.; Kaposta, C.; Neumark, D. M.; Wöste, L. Science 2003, 299, 1375.
12. (b) Kim, J.; Schmitt, U. W.; Gruetzmacher, J. A.; Voth, G. A.; Scherer, N. E. J. Chem. Phys. 2002, 116, 737.
13. (a) Mair, C.; Lezius, M.; Herman, Z.; Märk, T. D. J. Chem. Phys. 2003, 118, 7090.
14. (b) Fridgen, T. D.; McMahon, T. B. J. Phys. Chem. A 2002, 106, 9648.
15. (c) McCormack, J. A. D.; Mayer, P. M. Int. J. Mass Spectrom. 2001, 207, 183.
16. (d) Feng, W. Y.; Lifshitz, C. Int. J. Mass Spectrom. Ion Processes 1995, 149/150, 13.
17. (e) Bouchoux, G.; Hoppilliard, Y. J. Am. Chem. Soc. 1990, 112, 9110.
18. (f) Bomse, D. S.; Bouchoux, G. J. Am. Chem. Soc. 1981, 103, 3292.
19. (g) Jarvis, V. M.; Villanueva, M. A.; Bostwick, D. E.; Moran, T. F. Org. Mass Spectrom. 1993, 28, 595.
20. (h) Shukla, A. K.; Stace, A. J. J. Phys. Chem. 1988, 92, 2579.
21. (a) Okumura, M.; Yeh, L. I.; Myers, J. D.; Lee, Y. T. J. Phys. Chem. 1990, 94, 3416.
22. (b) Bieske, E. J.; Dopfer, O. Chem. Rev. 2000, 100, 3963.
23. (a) Yeh, L. I.; Okumura, M.; Myers, J. D.; Price, J. M.; Lee, Y. T. J. Chem. Phys. 1989, 91, 7319.
24. (b) Yeh, L. I.; Lee, Y. T.; Hougen, J. T. J. Mol. Spectrosc. 1994, 164, 473.
25. (c) Jiang, J. C.; Wang, Y. S.; Chang, H. C.; Lin, S. H.; Lee, Y. T.; Niedner-Schattenburg, G.; Chang, H. C. J. Am. Chem. Soc. 2000, 122, 1398.
26. (d) Jiang, J. C.; Chaudhuri, C.; Lee, Y. T.; Chang, H. C. J. Phys. Chem. A 2002, 106, 10937.
27. (e) Wu, C. C.; Chaudhuri, C.; Jiang, J. C.; Lee, Y. T.; Chang, H. C. J. Phys. Chem. A 2004, 108, 2859.
28. (f) Wu, C. C.; Jiang, J. C.; Boo, D. W.; Lin, S. H.; Lee, Y. T.; Chang, H. C. J. Chem. Phys. 2000, 112, 176 and references therein.
29. (a) Auer, A. A.; Helgaker, T.; Klopper, W. Phys. Chem. Chem. Phys. 2000, 2, 2235.
30. (b) Xie, Y.; Remington, R. B.; Schaefer, H. F. J. Chem. Phys. 1994, 101, 4878.
31. Calculations are carried out at the B3LYP/6-311G(2df,2pd) level.
32. +.
33. Fridgen, T. D.; McMahon, T. B. J. Phys. Chem. A 2003, 107, 668.
34. Dopfer, O. Int. Rev. Phys. Chem. 2003, 22, 437.
35. Solcà, N.; Dopfer, O. J. Am. Chem. Soc. 2003, 125, 1421.
36. (a) Fraser, G. T.; Pate, B. H.; Bethardy, G. A.; Perry, D. S. Chem. Phys. 1993, 175, 223.
37. (b) Provencal, R. A.; Casaes, R. N.; Roth, K.; Paul, J. B.; Chapo, C. N.; Saykally, R. J.; Tschumper, G. S.; Schaefer, H. F., III. J. Phys. Chem. A 2000, 104, 1423.
38. Solcà, N.; Dopfer, O. J. Phys. Chem. A 2001, 105, 5637.
39. Solcà, N.; Dopfer, O. Angew. Chem., Int. Ed. 2002, 41, 3628.
40. 1| ≤ 0.001 Å.