Electrostatic origin of the cooperative effect on the C=O bond lengths and the amide I vibrational frequencies of the N-methylacetamide oligomers

Journal of Molecular Structure

Volumn 735-736, Issue SPEC. ISS., 2005, Pages 21-26

  Torii, Hajime ^a  

^a SHIZUOKA UNIVERSITY   (Japan)

Author keywords

Amide I mode; Cooperative effect; Dipole induced dipole mechanism; Electric field; N methylacetamide

Indexed keywords

CHEMICAL BONDS; ELECTRIC FIELDS; ELECTROSTATICS; FORCE MEASUREMENT; FREQUENCIES; MOLECULES; POLARIZATION; POLYPEPTIDES;

AMIDE; FORCE CONSTANTS; N-METHYLACETAMIDE; VIBRATIONAL FREQUENCIES;

OLIGOMERS;

AMIDE; CARBON; N METHYLACETAMIDE; OLIGOMER; OXYGEN; POLYPEPTIDE; PROTEIN;

ARTICLE; DIPOLE; ELECTRIC FIELD; FORCE; HYDROGEN BOND; MATHEMATICAL COMPUTING; POLARIZATION; VIBRATION;

EID: 12344303190     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.10.082     Document Type: Article

References (42)

1. S. Krimm, and J. Bandekar Adv. Protein Chem. 38 1986 181
2. H.H. Mantsch, H.L. Casal, and R.N. Jones R.J.H. Clark R.E. Hester Spectroscopy of Biological Systems, Advances in Spectroscopy vol. 13 1986 Wiley New York 1
3. D.M. Byler, and H. Susi Biopolymers 25 1986 469
4. W.K. Surewitz, H.H. Mantsch, and D. Chapman Biochemistry 32 1993 389
5. H. Torii, and M. Tasumi H.H. Mantsch D. Chapman Infrared Spectroscopy of Biomolecules 1996 Wiley-Liss New York 1
6. H. Torii, and M. Tasumi J. Chem. Phys. 96 1992 3379
7. H. Torii, and M. Tasumi J. Raman Spectrosc. 29 1998 81
8. P. Hamm, M. Lim, W.F. Degrado, and R.M. Hochstrasser Proc. Natl Acad. Sci. USA 96 1999 2036
9. S. Woutersen, and P. Hamm J. Phys. Chem. B 104 2000 11316
10. A. Piryatinski, S. Tretiak, V. Chernyak, and S. Mukamel J. Raman Spectrosc. 31 2000 125
11. A.M. Moran, S.-M. Park, and S. Mukamel J. Chem. Phys. 118 2003 9971
12. R. Schweitzer-Stenner, F. Eker, Q. Huang, and K. Griebenow J. Am. Chem. Soc. 123 2001 9628
13. F. Eker, K. Griebenow, X. Cao, L.A. Nafie, and R. Schweitzer-Stenner Biochemistry 43 2004 613
14. R. Huang, J. Kubelka, W. Barber-Armstrong, R.A.G.D. Silva, S.M. Decatur, and T.A. Keiderling J. Am. Chem. Soc. 126 2004 2346
15. S. Cha, S. Ham, and M. Cho J. Chem. Phys. 117 2002 740
16. S. Ham, S. Cha, J.-H. Choi, and M. Cho J. Chem. Phys. 119 2003 1451
17. Y. Mu, D.S. Kosov, and G. Stock J. Phys. Chem. B 107 2003 5064
18. T. Miyazawa J. Chem. Phys. 32 1960 1647
19. T. Miyazawa, and E.R. Blout J. Am. Chem. Soc. 83 1961 712
20. S. Krimm, and Y. Abe Proc. Natl Acad. Sci. USA 69 1972 2788
21. W.H. Moore, and S. Krimm Proc. Natl Acad. Sci. USA 72 1975 4933
22. N. Kobko, L. Paraskevas, E. del Rio, and J.J. Dannenberg J. Am. Chem. Soc. 123 2001 4348
23. N. Kobko, and J.J. Dannenberg J. Phys. Chem. A 107 2003 10389
24. H. Guo, N. Gresh, B.P. Roques, and D.R. Salahub J. Phys. Chem. B 104 2000 9746
25. Y.-D. Wu, and Y.-L. Zhao J. Am. Chem. Soc. 123 2001 5313
26. Y.-L. Zhao, and Y.-D. Wu J. Am. Chem. Soc. 124 2002 1570
27. W.A. Herrebout, K. Clou, and H.O. Desseyn J. Phys. Chem. A 105 2001 4865
28. H. Torii J. Phys. Chem. A 108 2004 7272
29. H. Torii, T. Tatsumi, T. Kanazawa, and M. Tasumi J. Phys. Chem. B 102 1998 309
30. T.M. Watson, and J.D. Hirst J. Phys. Chem. A 106 2002 7858
31. S. Ham, and M. Cho J. Chem. Phys. 118 2003 6915
32. A.D. Becke J. Chem. Phys. 98 1993 5648
33. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
34. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, GAUSSIAN 03, Revision B.05, Gaussian, Inc., Pittsburgh PA, 2003.
35. H. Torii, T. Tatsumi, and M. Tasumi J. Raman Spectrosc. 29 1998 537
36. S. Ham, J.H. Kim, H. Lee, and M. Cho J. Chem. Phys. 118 2003 3491
37. T.M. Watson, and J.D. Hirst J. Phys. Chem. A 107 2003 6843
38. H. Torii, and M. Tasumi M. Doyama J. Kihara M. Tanaka R. Yamamoto Computer Aided Innovation of New Materials II 1993 Elsevier Amsterdam 1287
39. J.M. Luis, M. Duran, and J.L. Andrés J. Chem. Phys. 107 1997 1501
40. H. Torii Vib. Spectrosc. 29 2002 205
41. T. Keyes, D. Kivelson, and J.P. McTague J. Chem. Phys. 55 1971 4096
42. B.M. Ladanyi, and T. Keyes Mol. Phys. 33 1977 1063