Dynamics of circular hydrogen bond array in calix[4]arene in a nonpolar solvent: A nuclear magnetic resonance study

Journal of Chemical Physics

Volumn 122, Issue 4, 2005, Pages

  Lang, Jan ^a   Deckerová, Veronika ^b   Czernek, Jiří ^c   Lhoták, Pavel ^a  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

^b CHARLES UNIVERSITY   (Czech Republic)

^c INSTITUTE OF MACROMOLECULAR CHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BOND ARRAYS; HYDROXYL GROUPS; NONPOLAR SOLVENTS; TEMPERATURE RANGE;

ACTIVATION ANALYSIS; ENTROPY; FREQUENCIES; HYDROGEN BONDS; MAGNETIC RESONANCE; RATE CONSTANTS; THERMAL EFFECTS;

SOLVENTS;

EID: 22944473057     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1814971     Document Type: Article

References (61)

1. A. Zinke and E. Ziegler, Berichte der Deutschen Chemischen Gesellschaft zu Berlin 77, 264 (1944).
2. C. D. Gutsche and J. R. Muthukrishan, Org. Chem. 43, 4905 (1978).
3. S Fischer, P. D. J. Grootenhuis, L. C. Groenen, W. P. Hoorn, F. J. C. M. van Veggel, D. N. Reinhoudt, and M. Karplus, J. Am. Chem. Soc. 117, 1611 (1995).
4. C. D. Gutsche, Calixarenes, in Monographs in Supramolecular Chemistry, edited by J. F. Stoddart (The Royal Society of Chemistry, Cambridge, 1989).
5. C. D. Gutsche, Calixarenes Revisited, in Monographs in Supramolecular Chemistry, edited by J. F. Stoddart (The Royal Society of Chemistry, Cambridge, 1998).
6. L. C. Groenen, J.-D. van Loon, W. Verboom et al., J. Am. Chem. Soc. 113, 2385 (1991).
7. W. P. van Hoorn, W. J. Briels, J. P. M. van Duynhoven, F. J. C. M. van Veggel, and D. N. Reinhoudt, J. Org. Chem. 63, 1299 (1998).
8. C. D. Gutsche and L. J. Bauer, J. Am. Chem. Soc. 107, 6052 (1985).
9. K. Araki, S. Shinkai, and T. Matsuda, Chem. Lett. 18, 581 (1989).
10. P. D. J. Grootenhuis, P. A. Kollman, L. C. Groenen, D. N. Reinhoudt, G. J. van Hummel, F. Ugozzoli, and G. D. Andreetti, J. Am. Chem. Soc. 112, 4165 (1990).
11. L. C. Groenen, E. Steinwender, B. T. G. Lutz, J. H. van der Maas, and D. N. Reinhoudt, J. Chem. Soc., Perkin Trans. 2 1992, 1893.
12. G. D. Andreetti, R. Ungaro, and A. Pochini, J. Chem. Soc., Chem. Commun., 1005 (1979);
13. J. Chem. Soc., Perkin Trans. 2 1983, 1773.
14. W. Saenger, Nature (London) 279, 343 (1979).
15. J. E. del Bene and J. A. Pople, J. Chem. Phys. 52, 4858 (1970);
16. 58, 3605 (1973).
17. J. E. del Bene, J. Chem. Phys. 55, 4633 (1971).
18. W. Saenger and T. Steiner, Acta Crystallogr., Sect. A: Found. Crystallogr. 54, 798 (1998).
19. R. J. Wittebort, M. G. Usha, D. J. Ruben, D. E. Wemmer, and A. Pines, J. Am. Chem. Soc. 110, 5668 (1988).
20. V. I. Kovalenko, A. V. Chernova, E. I. Borisoglebskaya et al., Russ. Chem. Bull. 51, 825 (2002).
21. R. G Janssen, J. P. M. van Duynhoven, W. Verboom, G. J. van Hummel, and D. N. Reinhoudt, J. Am. Chem. Soc. 118, 3666 (2004).
22. D. F. Brougham, R. Caciuffo, and A. J. Horsewill, Nature (London) 397, 241 (1999).
23. A. J. Horsewill, N. H. Jones, and R. Caciuffo, Science 291, 100 (2001);
24. 298, 1171 (2002).
25. A. Fernandez-Ramos, Z. Smedarchina, and F. Pichierri, Chem. Phys. Lett. 343, 627 (2001).
26. D. Canet, Nuclear Magnetic Resonance: Concepts and Methods (Wiley, Chichester, 1996).
27. J. Mason, Solid State Nucl. Magn. Reson. 2, 285 (1993).
28. J. Czernek, R. Fiala, and V. Sklenář, J. Magn. Reson. 145, 142 (2000).
29. J. Czernek, J. Phys. Chem. A 105, 1357 (2001).
30. M. Shultes, R. Eisenhauer, J. J. Dechter, M. Johansson, P. Kumar, and J. Kowalewski, Magn. Reson. Chem. 37, 799 (1999).
31. J. H. Antony, A. Dölle, T. Fliege, and A. Geiger, J. Phys. Chem. A 101, 4517 (1997).
32. Z. Luz and S. Meiboom, J. Chem. Phys. 39, 366 (1964).
33. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
34. C. Lee, W. Yang, and R. Parr, Phys. Rev. B 37, 785 (1998).
35. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian, Inc., Pittsburgh PA, 1998.
36. D. R. Salahub, R. Fournier, P. Mlynarski, A. Papai, A. St-Amant, and J. Uskio, in Density Functional Methods in Chemistry, edited by J. Labanowski and J. W. Adzhelm (Springer, New York, 1991), p. 77.
37. V. G. Malkin, O. L. Malkina, and D. R. Salahub, MASTER-CS Program (Universite de Montreal, Montreal, 1994).
38. W. Kutzelnigg, U. Fleischer, and M. Schindler, NMR Basic Principles and Progress (Springer, Berlin, 2000), Vol. 23, p. 165.
39. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
40. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
41. V. G. Malkin, O. L. Malkina, L. A. Eriksson, and D. R. Salahub, in Theoretical and Computational Chemistry, edited by J. M. Seminario and P. Politzer (Elsevier, Amsterdam, 1995), Vol. 2, p. 273.
42. V. G. Malkin, O. L. Malkina, M. E Casida, and D. R. Salahub, J. Am. Chem. Soc. 116, 5898 (1994).
43. S. F. Boys, in Quantum Theory of Atoms, Molecules, and the Solid State, edited by P.-O. Löwdin (Academic, New York, 1969), p. 263.
44. C. D. Gutsche and M. Iqbal, Organic Syntheses, Vol. 68, edited by J. D. White (Wiley, Chichester, 1990), p. 234 (1990).
45. K. Stott, J. Stonehouse, J. Keeler, T. Hwang, and A. J. Shaka, J. Am. Chem. Soc. 117, 4199 (1995).
46. D. Canet, G. C. Levy, and I. R. Peat, J. Am. Chem. Soc. 18, 199 (1975).
47. J. Kowalewski, A. Ericsson, and R. Vestin, J. Magn. Reson. (1969-1992) 31, 165 (1978).
48. S. Meiboom and D. Gill, Rev. Sci. Instrum. 29, 688 (1958).
49. L. E. Kay, L. K. Nicholson, F. Delaglio, A. Bax, and D. A. Torchia, J. Magn. Reson. (1969-1992) 97, 359 (1992).
50. M. Čajan, P. Lhoták, J. Lang, H. Dvořá ková, I. Stibor, and J. Koča, J. Chem. Soc., Perkin Trans. 2 2002, 1922.
51. echo, corresponding to Fig. 7. A direct link to this document may be found in the online article's HTML reference section. This document may be retrieved via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
52. A. K. Jameson and C. J. Jameson, Chem. Phys. Lett. 134, 461 (1987).
53. T. Helgaker, M. Jaszuński, and K. Ruud, Chem. Rev. (Washington, D.C.) 99, 239 (1999).
54. J. Czernek, Chem. Phys. Lett. 392, 508 (2004).
55. R. Fiala, J. Czernek, and V. Sklenář, J. Biomol. NMR 16, 291 (2000).
56. J. Dittmer, C.-H. Kim, and G. Bodenhausen, J. Biomol. NMR 26, 259 (2003).
57. C. Alfieri, E. Dradi, A. Pochini, and R. Ungaro, Gazz. Chim. Ital. 119, 335 (1989).
58. J. Lang, Z. Tošner, P. Lhoták, and J. Kowalewski, Magn. Reson. Chem. 41, 819 (2003).
59. J. Kowalewski, M. Effemey, and J. Jokisaari, J. Magn. Reson. 157, 171 (2002).
60. R. Ishima, T. Baber, J. M. Louis, and D. A. Torchia, J. Biomol. NMR 29, 187 (2004).
61. T. D. Ferris and T. C. Farrar, Mol. Phys. 100, 303 (2002).