Correlation between electronic and molecular structure distortions and vibrational properties. II. Amide I modes of NMA-nD2O complexes

Journal of Chemical Physics

Volumn 118, Issue 8, 2003, Pages 3491-3498

  Ham, Sihyun ^a   Kim, Joo Hee ^a   Lee, Hochan ^a   Cho, Minhaeng ^a  

^a Korea University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRONIC STRUCTURE; LEAST SQUARES APPROXIMATIONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PHOTONS;

LEAST SQUARE FITTING METHOD;

HYDRATION;

EID: 0037460569     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1536980     Document Type: Article

References (41)

1. P. Hamm, M. Lim, W. F. DeGrado, and R. M. Hochstrasser, Proc. Natl. Acad. Sci. U.S.A. 96, 2036 (1999).
2. P. Hamm, M. Lim, and R. M. Hochstrasser, J. Phys. Chem. B 102, 6123 (1998).
3. S. Woutersen and P. Hamm, J. Phys. Chem. B 104, 11316 (2000).
4. C. Scheurer, A. Piryatinski, and S. Mukamel, J. Am. Chem. Soc. 123, 3114 (2001).
5. P. Hamm, M. Lim, W. F. DeGrado, and R. M. Hochstrasser, J. Phys. Chem. A 103, 10049 (1999); J. Chem. Phys. 112, 1907 (2000).
6. P. Hamm, M. Lim, W. F. DeGrado, and R. M. Hochstrasser, J. Phys. Chem. A 103, 10049 (1999); J. Chem. Phys. 112, 1907 (2000).
7. M. Cho, Advances in Multi-Photon Processes and Spectroscopy, edited by S. H. Lin, A. A. Villaeys, and Y. Fujimura (World Scientific, Singapore, 1999).
8. M. Cho, Phys. Chem. Comm. 5, 40 (2002).
9. G. Eaton, C. R. Symons, and P. P. Rastogi, J. Chem. Soc., Faraday Trans. 85, 3257 (1991).
10. M. Cho, J. Chem. Phys. 118, 3480 (2003). This is the companion Paper I on the correlation between electronic and molecular structure distortions and vibrational properties. I. Adiabatic approximations.
11. H. Torii, T. Tatsumi, and M. Tasumi, J. Raman Spectrosc. 29, 537 (1998).
12. N. Mirkin and S. Krimm, J. Am. Chem. Soc. 113, 9742 (1991).
13. N. Mirkin and S. Krimm, J. Mol. Struct. 242, 143 (1991).
14. N. Mirkin and S. Krimm, J. Mol. Struct. 377, 219 (1996).
15. L. M. Markham and B. S. Hudson, J. Phys. Chem. 100, 2731 (1996).
16. N. A. Besley and J. Hirst, J. Phys. Chem. A 102, 10791 (1998).
17. H. Torii, T. Tatsumi, T. Kanazawa, and M. Tasumi, J. Phys. Chem. B 102, 309 (1998).
18. G. J. Kearley, M. R. Johnson, M. Plazanet, and E. J. Suard, Chem. Phys. 115, 2614 (2001).
19. H. Torii and M. Tasumi, Int. J. Quantum Chem. 70, 241 (1998).
20. W. A. Herrebout, K. Clou, and H. O. Desseyn, J. Phys. Chem. A 105, 4865 (2001).
21. D. A. Dixon, K. D. Dobbs, and J. J. Valentini, J. Phys. Chem. 98, 13435 (1994).
22. S. Haseler, G. Poglitsch, G. Bechtold, and W. L. Peticolas, J. Chem. Phys. 84, 1046 (1986).
23. Y. Wang, R. Purello, S. Georgiu, and T. G. Spiro, J. Am. Chem. Soc. 113, 6368 (1991).
24. X. G. Chen, R. Schweitzer-Stenner, S. Krimm, N. G. Mirkin, and S. A. Asher, J. Am. Chem. Soc. 166, 11141 (1994).
25. X. G. Chen, R. Schweitzer-Stenner, S. A. Asher, N. G. Mirkin, and S. Krimm, J. Phys. Chem. 99, 3074 (1995).
26. X. G. Chen, S. A. Asher, R. Schweitzer-Stenner, N. G. Mirkin, and S. Krimm, J. Am. Chem. Soc. 117, 2884 (1995).
27. H. Guo and M. Karplus, J. Phys. Chem. 96, 7273 (1992).
28. H. Guo and M. Karplus, J. Phys. Chem. 98, 7104 (1994).
29. D. A. Dixon, K. D. Dobbs, and J. J. Valentini, J. Phys. Chem. 98, 13435 (1994).
30. W.-G. Han and S. Suhai, J. Phys. Chem. 100, 3942 (1996).
31. B. Kallies and R. Mitzner, J. Chem. Soc., Perkin Trans. 2 2, 1403 (1996).
32. J. Kubelka and T. A. Keiderling, J. Phys. Chem. A 105, 10922 (2001).
33. M. Buck and M. Karplus, J. Phys. Chem. B 105, 11000 (2001).
34. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98, Revision A.7, Gaussian, Inc., Pittsburgh, PA, 1998.
35. J. A. Pople, A. P. Scott, M. W. Wong, and L. Radom, Isr. J. Chem. 33, 345 (1994).
36. Iin Eq. (9).
37. M. W. Wong, M. Frisch, and K. B. Wiberg, J. Am. Chem. Soc. 113, 4776 (1991).
38. A. Morita and S. Kato, J. Am. Chem. Soc. 119, 4021 (1997).
39. -1 in Ref. 2 by finding the best fit between experimental and modeled spectra. The fact that hydrogen bonding causes a redshift of monomeric frequency was discussed in the following papers: S. Krimm and W. C. Reisdorf, Jr., Faraday Discuss. 99, 181 (1994); N. G. Mirkin and S. Krimm, J. Am. Chem. Soc. 113, 9742 (1991); and H. Torii, T. Tatsumi, and M. Tasumi, Mikrochim. Acta, Suppl. 14, 531 (1997).
40. -1 in Ref. 2 by finding the best fit between experimental and modeled spectra. The fact that hydrogen bonding causes a redshift of monomeric frequency was discussed in the following papers: S. Krimm and W. C. Reisdorf, Jr., Faraday Discuss. 99, 181 (1994); N. G. Mirkin and S. Krimm, J. Am. Chem. Soc. 113, 9742 (1991); and H. Torii, T. Tatsumi, and M. Tasumi, Mikrochim. Acta, Suppl. 14, 531 (1997).
41. -1 in Ref. 2 by finding the best fit between experimental and modeled spectra. The fact that hydrogen bonding causes a redshift of monomeric frequency was discussed in the following papers: S. Krimm and W. C. Reisdorf, Jr., Faraday Discuss. 99, 181 (1994); N. G. Mirkin and S. Krimm, J. Am. Chem. Soc. 113, 9742 (1991); and H. Torii, T. Tatsumi, and M. Tasumi, Mikrochim. Acta, Suppl. 14, 531 (1997).