Hydrogen in N-methylacetamide: Positions and dynamics of the hydrogen atoms using neutron scattering

Journal of Physical Chemistry B

Volumn 111, Issue 27, 2007, Pages 7725-7734

  Bordallo, Heloisa N ^a,b   Argyriou, Dimitri N ^a   Barthès, Mariette ^c   Kalceff, Walter ^d   Rols, Stephane ^b,c   Herwig, Kenneth W ^e   Fehr, Carlos ^a   Juranyi, Fanni ^f,g   Seydel, Tilo ^b  

^a HAHN MEITNER INSTITUT   (Germany)

^b INSTITUT LAUE LANGEVIN   (France)

^c UNIV MONTPELLIER   (France)

^d UNIVERSITY OF TECHNOLOGY SYDNEY   (Australia)

^e OAK RIDGE NATIONAL LABORATORY   (United States)

^f SAARLAND UNIVERSITY   (Germany)

^g PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; ATOMIC PHYSICS; HYDROGEN; MOLECULAR DYNAMICS; NEUTRON SCATTERING; PROTON TRANSFER; THERMAL EXPANSION;

HYDROGEN ATOMS; PEPTIDE LINKAGE;

POLYAMIDES;

EID: 34547420851     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp068528z     Document Type: Article

References (42)

1. Scheiner, S. In Hydrogen Bonding: A Theoretical Perspective; Oxford University Press: Oxford, 1997.
2. Cheatham, T. E., III; Kollman, P. A. Annu. Rev. Phys. Chem. 2000, 51, 435.
3. Gumbart, J.; Wang, Y.; Aksimentiev, A.; Tajkhorshid, E.; Schulten, K. Curr. Opin. Struct. Biol. 2005, 15, 423.
4. Eckert, J.; Barthès, M.; Klooster, Wim, T.; Albinati, A.; Aznar, R.; Koetzle, T. J. Phys. Chem. B 2001, 105, 19.
5. Kearley, G. J.; Johnson, M. R.; Plazanet, M.; Suard, E. J. Chem. Phys. 2001, 115, 2614.
6. Mirkin, N. G.; Krimmin, S. J. J. Mol. Struct. 1995, 334, 3.
7. Trabelsi, S.; Nasr, S.; Bahn, M.; Bellissent-Funel, M.-C. J. Phys. Chem. B 2006, 110, 25021.
8. Katz, J. L.; Post, B. Acta Crystallogr. 1960, 13, 624.
9. Hamazaoui, F.; Baert, F. Acta Crystallogr. 1994, C50, 757.
10. Barthès, M.; G. de Nunzio, G.; Ribet, M. Synth. Met. 1994, 76, 337.
11. Kearley, J. G.; Johnson, M. R.; Plazanet, M.; Suard, E. J. Chem. Phys. 2001, 115, 2614.
12. Dunlop, K. V.; Irvin, R. T.; Hazes, B. Acta Crystallogr., Sect. D 2005, 61, 80.
13. Rols, S.; Bordallo, H. N.; Herwig, K. W.; Barthès, M. Physica B 2004, 350, e-587.
14. Barthès, M.; Bordallo, H. N.; Eckert, J.; Maurus, O.; de Nunzio, G.; Léon, J. J. Phys. Chem. B 1998, 102, 6177.
15. Larson, A. C.; Von Dreele, R. B. In General Structure Analysis System (GSAS); Los Alamos National Laboratory Report LAUR 86-748; 1994.
16. Janssen, S.; Mesot, J.; Holitzner, L.; Furrer, A.; Hempelmann, R. Physica B 1997, 234, 1174.
17. Squires, G. L. In Introduction to the Theory of Thermal Neutron Scattering; Dover Publications, Inc.: New York, 1996.
18. Bradley, K. F.; Chen, S.-H.; Brun, T. O.; Kleb, R.; Loomis, W. A.; Newsam, J. M. Nucl, Instrum. Methods A 1988, 270, 78.
19. Bée, M. In Quasielastic Neutron Scattering: Principles and Applications in Solid State Chemistry, Biology and Materials Science; Adam Hilger: Bristol, 1988.
20. Frick, B.; Magerl, A.; Blanc, Y.; Rebesco, R. Physica B 1990, 234-236, 1177.
21. Doster, W.; Cusak, S.; Petry, W. Nature 1989, 337, 754.
22. Evans, J. S. O.; Hu, Z.; Jorgensen, J. D.; Argyriou, D. N.; Short, S.; Sleight, A. W. Science 1997, 61, 275.
23. Aasmundtveit, K. E.; Samuelsen, E. J.; Hoffmann, K.; Bakken, E.; Carlsen, P. H. J. Synth. Met. 2000, 113, 7.
24. Birkedal, H.; Schwarzenbach, D.; Pattison, P. Angew. Chem., Int. Ed. 2002, 41, 754.
25. Barrera, G. D.; Bruno, J. A. O.; Barron, T. H. K.; Allan, N. L. J. Phys.: Condens. Matter 2005, 17, R217.
26. Boldyreva, E. V.; Drebushchak, T. N.; Shutova, E. S. Z. Kristallogr. 2003, 218, 366.
27. Drebushchak, T. N.; Boldyreva, E. V. Z. Kristallogr. 2004, 219, 506.
28. 2]), whew u(T) is the mean square displacement of the scattering nuclei. Therefore, once the elastic intensity has been experimentally obtained, one can get hold of the variation of u(T).
29. Daniel, R. M.; Finney, J. L.; Réat, V.; Dunn, R.; Ferrand, M.; Smith, J. C. Biophys J. 1999, 77, 2184.
30. Djurado, D.; Combet, J.; Bée, M.; Rannou, P.; Dufour, B.; Pron, A.; Travers, J. P. Phys. Rev. B 2002, 65, 184202.
31. Frick, B.; Williams, J.; Trevifio, S.; Erwin, R. Physica B 1995, 213-214, 506.
32. Chumakov, A. V.; Sergueev, I.; van Bürck, U.; Schirmacher, W.; Asthalterr, T.; Rüffer, R.; Leupold, O.; Petry, W. Phys. Rev. Lett. 2001, 92, 245508.
33. Taraskin, S. N.; Loh, Y. L.; Natarajan, G.; Elliott, S. R. Phys. Rev. Lett. 2001, 86, 1255.
34. Green, R. M.; Horsewill, A. J. Mol. Phys. 1996, 57, 887.
35. Neumann, M. A.; Johnson, M. R.; Aibou, A.; Horsewill, A. J. Chem. Phys. 1998, 229, 245.
36. Johnson, M. R.; Prager, M.; Grimm, H.; Neumann, M. A.; Kearley, G. J.; Wilson, C. C. Chem. Phys. 1999, 244, 49.
37. Scott, A. C. In Nonlinear Science; Oxford University Press: Oxford, 1999.
38. Scott, A. C.; Bigio, I.; Johnston, C. Phys. Rev. B 1989, 39, 12883.
39. Caliskan, G.; Briber, R. M.; Thirumalai, D.; Garcia-Sakai, V.; Woodson, S. A.; Sokolov, A. P. J. Am. Chem. Soc. 2006, 128, 32.
40. Frick, B.; Fetters, L. J. Macromolecules 1994, 27, 974.
41. Weissbuch, I.; Leiserowitz, J.; Lahav, M. In Crystallization Technology Handbook; Mersmann, A., Ed.; Marcel Dekker: New York, 1995, Crystal polymorphism embodies the ability of molecules to form diverse packing arrangements displaying different physical and chemical characteristics.
42. Bernstein, J. In Polymorphism in Organic Crystals; Clarendon: Oxford, 2002.