Characterization of protonated formamide-containing clusters by infrared spectroscopy and ab initio calculations: I. O-protonation

Journal of Physical Chemistry A

Volumn 104, Issue 42, 2000, Pages 9556-9565

  Wu C C, ^a,b   Jiang, J C ^a,c   Hahndorf, I ^a,b   Chaudhuri, C ^a,c   Lee T, Y ^a,b   Chang, H C ^a,c  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^b INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^c LEIBNIZ INSTITUT FÜR KATALYSE E V AN DER UNIVERSITÄT ROSTOCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; INFRARED SPECTROSCOPY; ISOTOPES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; PROTONS;

PROTONATION;

MOLECULAR STRUCTURE;

EID: 0034296091     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000993n     Document Type: Article

References (48)

1. Lowry, T. H.; Richardson, K. S. Mechanism and Theory in Organic Chemistry; 3rd ed.; Harper & Row: New York, 1987.
2. Hill, R. L. In Advances in Protein Chemistry; Anfinsen, C. B., Anson, M. L., Edsall, J. T., Richards, F. M., Eds.; Academic Press: New York, 1965; p 37.
3. Perrin, C. L. Acc. Chem. Res. 1989, 22, 268.
4. Brown, R. S.; Bennet, A. J.; Slebocka-Tilk, H. Acc. Chem. Res. 1992, 25, 481.
5. Achatz, U.; Joos, S.; Berg, C.; Schindler, T.; Beyer, M.; Albert, G.; Niedner-Schatteburg, G.; Bondybey, V. E. J. Am. Chem. Soc. 1998, 120, 1876.
6. Wang, Y.-S.; Chang, H.-C.; Jiang, J. C.; Lin, S. H.; Lee, Y. T.; Chang, H.-C. J. Am. Chem. Soc. 1998, 120, 8777.
7. Chang, H.-C.; Wang, Y.-S.; Lee, Y. T.; Chang, H.-C. Int. J. Mass Spectrom. 1998, 180, 91.
8. Laidig, K. E.; Bader, R. F. W. J. Am. Chem. Soc. 1991, 113, 6312.
9. Krug, J. P.; Popelier, P. L. A.; Bader, R. F. W. J. Phys. Chem. 1992, 96, 7604.
10. Lin, H.-Y.; Ridge, D. P.; Uggerud, E.; Vulpius, T. J. Am. Chem. Soc. 1994, 116, 2996.
11. Antoczak, S.; Ruiz-Lopez, M. F.; Rivail, J. L. J. Am. Chem. Soc. 1994, 116, 3912.
12. Casteiger, J.; Hondelmann, U.; Rose, P.; Witzenbichler, W. J. Chem. Soc., Perkin Trans. 2, 1995, 193.
13. Ou, M.-C; Chu, S.-Y. J. Phys. Chem. 1995, 99, 556.
14. Tortajada, J.; Leon, E.; Morizur, J.-P.; Luna, A.; Mó, O.; Yáñez, M. J. Phys. Chem. 1995, 99, 13890.
15. Pranata, J.; Davis, G. D. J. Phys. Chem. 1995, 99, 14340.
16. Kamitakahara, A.; Pranata, J. J. Mol. Struct. 1998, 429, 61.
17. Cho, S. J.; Cui, C.; Lee, J. Y.; Park, J. K.; Suh, S. B.; Park, J.; Kim, B. H.; Kim, K. S. J. Org. Chem. 1997, 62, 4068.
18. Colominas, C.; Luque, F. J.; Orozco, M. J. Phys. Chem. A 1999, 103, 6200.
19. Luna, A.; Amekraz, B.; Tortajada, J.; Morizur, J.-P.; Alcamí, M.; Mó, O.; Yánñz, M. J. Am. Chem. Soc. 1998, 120, 5411.
20. Cabaleiro-Lago, E. M.; Rios, M. A. J. Chem. Phys. 1999, 110, 6782.
21. Marlier, J. F.; Dopke, N. C.; Johnstone, K. R.; Wirdzig, T. J. J. Am. Chem. Soc. 1999, 121, 4356.
22. Bakowies, D.; Kollman, P. A. J. Am. Chem. Soc. 1999, 121, 5712.
23. Fogarasi, G.; Szalay, P. G. J. Phys. Chem. A 1997, 101, 1400.
24. Jiang, J. C.; Chang, H.-C.; Lee, Y. T.; Lin, S. H. J. Phys. Chem. A 1999, 103, 3123.
25. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision D.3, Gaussian, Inc.: Pittsburgh, PA, 1995.
26. Gruenloh, C. J.; Carney, J. R.; Arrington, C. A.; Zwier, T. S.; Fredericks, S. Y.; Jordan, K. D. Science 1997, 276, 1678.
27. Evans, J. C. J. Chem. Phys. 1959, 31, 1435.
28. King, S. T. J. Phys. Chem. 1971, 75, 405.
29. Brummel, C. L.; Shen, M.; Hewett, K. B.; Philips, L. A. J. Opt. Soc. Am. B 1994, 11, 176.
30. Kwiatkowski, J. S.; Leszczynski, J. J. Mol. Struct. 1993, 297, 277.
31. Hunter, E. P. L.; Lias, S. G. J. Phys. Chem. Ref. Data 1998, 27, 413.
32. Hahndorf, I.; Jiang, J. C.; Chang, H.-C.; Wu, C.-C.; Chang, H.-C. J. Phys. Chem. A 1999, 103, 8753.
33. Klots, C. E. Z. Phys. D. 1991, 20, 105.
34. Jiang, J. C.; Chang, J.-C; Wang, B.-C; Lin, S. H.; Lee, Y. T.; Chang, H.-C. Chem. Phys. Lett. 1998, 289, 373.
35. Detailed information on the bond angles, lengths and the proton pulling effects is available on the World Wide Web at http:// po.iams.sinica.edu.tw/lab/hcchang/wcche/index.html.
36. Meot-Ner, M. J. Am. Chem. Soc. 1984, 106, 1257.
37. Lide, D. R., Ed. CRC Handbook of Chemistry and Physics; 75th ed.; CRC Press: Boca Raton, 1994.
38. Price, J. M.; Crofton, M. W.; Lee, Y. T. J. Chem. Phys. 1989, 91, 2749;
39. J. Phys. Chem. 1991, 95, 2182.
40. Chang, H.-C.; Jiang, J. C.; Hahndorf, I.; Lin, S. H.; Lee, Y. T.; Chang, H.-C. J. Am. Chem. Soc. 1999, 121, 4443.
41. Wu, C.-C.; Jiang, J. C.; Boo, D. W.; Lin, S. H.; Lee, Y. T.; Chang, H.-C. J. Chem. Phys. 2000, 112, 176
42. Meot-Ner, M.; Deakyne, C. A. J. Am. Chem. Soc. 1985, 107, 469.
43. Suzuki, I. Bull. Chem. Soc. Jpn. 1960, 33, 1359.
44. + simultaneously observed for the mixed methanol water clusters (ref 38 and Chaudhuri, C.; Jiang, J. C.; Wang, X.; Lee, Y. T.; Chang, H.-C. J. Chem. Phys. 2000, 112, 7279).
45. Gu, Y.; Kar, T.; Scheiner, S. J. Am. Chem. Soc. 1999, 121, 9411, and references therein.
46. Steiner, T. J. Chem. Soc., Perkin Trans. 2 1995, 1315.
47. Musah, R. A.; Jensen, G. M.; Rosenfeld, R. J.; McRee, D. E.; Goodin, D. B. J. Am. Chem. Soc. 1997, 119, 9083.
48. See the special issue of Acc. Chem. Res. 1998, 31, 1.