Short-range order in liquid N-methylformamide HCONHCH3, as studied by x-ray scattering and density functional theory calculations

Journal of Chemical Physics

Volumn 119, Issue 8, 2003, Pages 4419-4427

  Hammami, Férid ^a   Bahri, Mohamed ^b   Nasr, Salah ^a   Jaidane, Nejmeddine ^b   Oummezzine, Mohamed ^a   Cortes, Robert ^c  

^a FACULTÉ DES SCIENCES DE MONASTIR   (Tunisia)

^b FACULTÉ DES SCIENCES DE TUNIS   (Tunisia)

^c SORBONNE UNIVERSITÉ   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; HYDROGEN BONDS; ISOMERS; LIQUIDS; MOLECULAR STRUCTURE; MOLECULES; PROBABILITY DENSITY FUNCTION; SET THEORY; X RAY DIFFRACTION ANALYSIS; X RAY SCATTERING;

INTERMOLECULAR ARRANGEMENTS; INTERMOLECULAR PAIR CORRELATION FUNCTION; METHYLFORMAMIDE;

NITROGEN COMPOUNDS;

EID: 0042882218     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1592513     Document Type: Article

References (49)

1. Y. K. Kang, J. Phys. Chem. B 104, 8321 (2000).
2. M. J. Hansen, M. A. Wendt, and T. C. Farrar J. Phys. Chem. A 104, 5328 (2000).
3. M. Huelsekopf and R. Ludwig, J. Mol. Liq. 98-99, 163 (2002).
4. T. C. Farrar and J. A. Ropp, J. Mol. Liq. 98-99, 103 (2002).
5. R. Ludwig, J. Mol. Liq. 84, 65 (2000).
6. J. B. O. Mitchell and S. L. Price, Chem. Phys. Lett. 154, 267 (1989).
7. H. Ohtaki, S. Itoh, and B. M. Rode, Bull. Chem. Soc. Jpn. 59, 271 (1986).
8. M. Kitano and K. Kuchitsu, Bull. Chem. Soc. Jpn. 47, 631 (1974).
9. A. C. Fantoni and W. Caminati, J. Chem. Soc., Faraday Trans. 92, 343 (1996).
10. G. Nandiani and D. N. Sathyanarayana, J. Mol. Struct. 579, 1 (2002).
11. A. D. Headley and J. Nam, J. Mol. Struct.: THEOCHEM 589-590, 423 (2002).
12. G. A. Jeffrey, An Introduction to Hydrogen Bonding (Oxford University Press, New York, 1997).
13. P. Lindberg and J. Roeraade, J. Liq. Chrom Rel. Technol. 22, 307 (1999).
14. E. N. Gate, M. D. Threadgill, M. F. Stevens, D. Chubb, L. M. Vickers, S. P. Langdon, J. A. Hickman, and A. Gescher, J. Med. Chem. 29, 1046 (1986).
15. R. Negri, G. Costanzo, R. Saladino, and E. Di Mauro, BioTechniques 21, 910 (1996).
16. J. Neuefeind, Dissertation, RWTH Aachen, 1994.
17. J. Neuefeind, P. Chieux, and M. D. Zeidler, Mol. Phys. 76, 143 (1992).
18. J. Richardi, H. Krienke, and P. H. Fries, Chem. Phys. Lett. 273, 115 (1997).
19. J. Neuefeind, M. D. Zeidler, and H. F. Poulsen, Mol. Phys. 87, 189 (1996).
20. C. Desfrançois, V. Périquet, S. Carles, J. P. Shermann, and L. Adamowicz, J. Chem. Phys. 239, 475 (1998).
21. C. Desfrançois, V. Périquet, S. Carles, J. P. Shermann, D. M. A. Smith, and L. Adamowicz, J. Chem. Phys. 110, 4309 (1999).
22. H. Torii and M. Tasumi, Int. J. Quantum Chem. 70, 241 (1998).
23. H. Torii and M. Tasumi, J. Phys. Chem. A 104, 4174 (2000).
24. R. Ludwig, F. Weinhold, and C. Farrar, J. Chem. Phys. 107, 499 (1997).
25. P. C. Schoester, M. D. Zeidler, T. Radnai, and P. A. Bopp, Z. Naturforsch. Teil A 50, 38 (1995).
26. A. C. Fantoni, W. Caminati, H. Hartwig, and W. Stahl, J. Mol. Struct. 612, 305 (2002).
27. F. Hammami, S. Nasr, M. Oumezzine, and R. Cortès, Biomol. Eng. 19, 201 (2002).
28. T. Kupka, I. P. Gerothanassis, and I. N. Demetropoulos, J. Mol. Struct. 531, 143 (2000).
29. H. M. Badawi, J. Mol. Struct.: THEOCHEM 617, 9 (2002).
30. Y. K. Kang, J. Mol. Struct.: THEOCHEM 546, 183 (2001).
31. S. Nasr, M. Ghédira, and R. Cortès, J. Chem. Phys. 110, 10487 (1999).
32. S. Nasr, M. C. Bellissent-Funel, and R. Cortès, J. Chem. Phys. 110, 10945 (1999).
33. L. Bosio, Hydrogen-Bonded Liquids, NATO ASI Series C, edited by J. C. Dore and J. Teixeira (Kluwer, Amsterdam, 1991), Vol. 329, pp. 89-94.
34. R. Caminati, G. Licheri, G. Piccaluge, G. Pinna, and M. Magini, Rev. Inorg. Chem. 1, 333 (1979).
35. H. Ohtaki, Rev. Inorg. Chem. 4, 103 (1982).
36. E. Kalman, I. Serke, G. Palinkas, M. D. Zeidler, F. J. Wiesmann, H. Bertagnolli, and P. Chieux, Z. Naturforsch. A 38, 231 (1983).
37. T. H. Dunning, Jr., J. Chem. Phys. 55, 716 (1971).
38. M. W. Schmidt, K. K. Baldridge, J. A. Boatz et al., J. Comput. Chem. 14, 1347 (1993).
39. R. H. Hertwig and W. Koch, Chem. Phys. Lett. 268, 345 (1997).
40. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
41. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
42. B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
43. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
44. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
45. J. D. Hirst, D. M. Hirst, and C. L. Brooks, J. Phys. Chem. A 101, 4821 (1997).
46. Y. Sugawara, A. Y. Hiawaka, M. Tsuboi, S. Kato, and K. Morokuma, Chem. Phys. 62, 339 (1981).
47. A. H. Narten, J. Chem. Phys. 65, 573 (1976).
48. A. H. Narten and S. I. Sandler, J. Chem. Phys. 71, 2069 (1944).
49. S. I. Sandler and A. H. Narten, Mol. Phys. 32, 1543 (1944).