Solvent effect on rotational relaxation time of ammonium ion

Journal of Physical Chemistry A

Volumn 105, Issue 13, 2001, Pages 2989-2996

  Masuda, Yuichi ^a  

^a OCHANOMIZU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ROTATIONAL RELAXATION;

ALGORITHMS; CONTINUUM MECHANICS; CRYSTAL LATTICES; ELECTROHYDRODYNAMICS; NUCLEAR MAGNETIC RESONANCE; RELAXATION PROCESSES; SOLVENTS;

AMMONIUM COMPOUNDS;

EID: 0035810450     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003300b     Document Type: Article

References (69)

1. Wolynes, P. G. Anna. Rev. Phys. Chem. 1980, 31, 345.
2. Masuda, Y.; Yamatera, H. Structure and Dynamics of Solutions; Ohtaki, H., Yamatera, H., Eds.; Elsevier: Amsterdam, 1992; Chapter 4.
3. Madden, D. A. Annii. Rev. Phys. Chem. 1980, 31, 523.
4. Maroncelli, M. J. Mol. Liq. 1993, 57, 1.
5. Barbara, P. F.; Jarzeba, W. Adv. Photo Chem. 1990, 15, 1
6. Kato, T.; Umemura, J.; Takenaka, T. Mol. Phys. 1978, 36, 621.
7. Nicolas, A. M. de P.; Wasylishen, R. E. Can. J. Chem. 1987, 65, 951,
8. (a) Adachi, A.; Kiyoyama, H.; Nakahara, M.; Masuda, Y.; Yamatera, H.; Shimizu, A.; Taniguchi, Y. J. Chem. Phys. 1989, 90, 392.
9. (b) Nakahara, M.; Adachi, A.; Kiyoyama, H.; Shimizu, A.; Taniguchi, Y.; Masuda, Y. J. Phys. Chem. 1990, 94, 6179.
10. Nicolas, A. M. de P.; Wasylishen, R. E. J. Phys. Chem. 1985, 89, 5446.
11. Nakahara, M.; Emi, K. J. Chem. Phys. 1993, 99,-5418.
12. Masuda, Y.; Sano, M.; Yamatera, H. J. Phys. Chem. 1985,89,3086.
13. Hosoi, H.; Masuda, M. J. Phys. Chem. B 1998, 702, 2995.
14. Perrin, C. L.; Gipe, R. K. Science 1987, 238, 1393.
15. Masuda; Y.; Yamatera, H. J. Phys. Chem. 1983, 87, 5339.
16. Masuda, Y.; Yamatera, H. J. Phys. Chem. 1984,88, 3425.
17. Ichikawa, K. J. Chem. Soc., Faraday Trans. 2 1986, 82, 1913.
18. Riddick, J. A.; Bunger, W. B.; Sakano, T. K. Organic SolventsProperties and Methods of Purifications; John Wiley & Sons: New York, 1986, and references therin.
19. 1H spin-lattice relaxation caused by the dipolar interaction between the ammonium protons also depends on the rotational relaxation time. However, it is difficult to separate this contribution to the observed proton TI from others, such as a spin-rotation mechanism, without ambiguity.
20. Farrar, T. C.; Becker, E. D. Pulse and Fourier Transform NM; Academic Press: New York, 1971; Chapter 4.
21. Jorgensen, L.; Gao, J. J. Phys. Client. 1986, 90, 2174.
22. Karim, O. A.;Haymet, A. D. J. J. Chem. Phys. 1990, 93, 5961.
23. Holtz, M. Prog. NMR Spectrosc. 1986, 18, 327.
24. Abragam, A. The Principles of Nuclear Magnetism; Oxford: London, 1961; Chapter 8.
25. Harrey J. S. M. Proc. R. Soc. London, Ser. A 1965, 285, 581.
26. Hertz, H. G.; Holtz, M.; Klute, R.; Stalidis, G.; Versmold, H. Ber. Bunsen-Ges. Phys. Chem. 1974, 78, 8. 24.
27. Masuda, Y. To be published.
28. 15N measurement is more than several tens times longer than that for the 2D measurement.
29. Masuda, Y.; Yamatera, H. Chem. Lett. 1988, 171.
30. Masuda, Y.; Yamatera, H. J. Chem. Soc., Faraday Trans, 1 1985, 81, 127.
31. Ibuki, K.; Nakahara, M. J. Chem. Phys. 1986, 90, 386.
32. (a) Kivelson, D.; Kowert, B. J. Chem. Phys. 1995, 103, 3071.
33. (b) Boeré, R. J.; Kidd, G. Amu. Rep. NMR Spec. 1982, 13, 319.
34. Evans, G. T.; Kivelson, D. J. Chem. Phys. 1986, 84, 385.
35. Bauer, D. R.; Brauman, J. I.; Pecora, R. J. Am. Chem. Soc. 1974, 96, 6840.
36. (a) Felderhof, B. U. Mol. Phys. 1983, 48, 1269.
37. (b) Felderhof, B. U. Mol. Phys. 1983, 48, 1283.
38. (a) Hubbard, J.; Cmsager, L. J. Chem. Phys. 1977, 67, 4850.
39. (b) Hubbard, J. B. J. Chem. Phys. 1978, 68, 1649.
40. For alcohols, multiple dielectric relaxations were observed. (Barthel, J.; Bachhuber, K.; Hetzenauer, H. Chem. Phys. Lett. 1990, 765, 369.
41. Turq, P.; Barthel, J.; Chemla, M. Transport, Relaxation, and Kinetic Processes in Electrolyte Solutions,; Springer-Verlag: Berlin, 1992;
42. Lecture Notes in Chemistry, Volume 57, Chapter VII.)
43. In the present study, the fast component(s), which corresponded to the rotations of the OH groups and/ or the alcohol molecules, were used for the calculations of the dielectric frictions. A similar treatment was done for the calculations for the dielectric frictions for the translation and rotation of the perchlorate ion (ref 12) and the barrier crossing dynamics for the electron-transfer reactions. (
44. Weaver, M. J.; McManis, G. E.; Jarzeba, W.; Barbara, P. F. J. Phys. Chem. 1990, 94, 1715.
45. J. Phys. Chem. 1986, 90, 6563.
46. About 3 and 1.5 times larger values of the rotational relaxation times respectively, for the ammonium and the perchlorate ion were given in the calculations by the HOF model than those by the SED.
47. (a) Alavi, D. S.; Waldeck, D. H. J. Chem. Phys. 1991, 94, 6196.
48. (b) Hartman, R. S.; Alavi, D. S.; Waldeck, D. H. J. Phys. Chem. 1991, 95, 7872.
49. Hartman, R. S.; Waldeck, D. H. J. Phys. Chem. 1994, 98, 1386.
50. Nee, T. W.; Zwanzig, R. J. Chem. Phys. 1970, 52, 6353
51. (a) Gutmann, V. Donor and Acceptor Approach to Molecular Interactions; Plenum Press: New York, 1978; Chapter 2.
52. (b) The Gutmann's donor number for ethylene glycol was estimated by assuming the linear relation between the donor numbers and the Z values by Kosower for alcohols.
53. (Ismailov, N. A.; Krugljak. Y. A. Dokl. Akad. Nauk. SSSR 1960, 134, 1390.
54. Robinson, R. A.; Stokes, R. H. Electrolyte Solutions; Butterworth: London, 1959; p 465.
55. Krumgaltz, B. S. J. Chem. Soc., Faraday Trans, l 1983, 79, 571.
56. Ibuki, K.; Nakahara, M. /. Chem. Phys. 1986, 84, 2776.
57. Ibuki, K.; Nakahara, M. /. Phys. Chem. 1986, 90, 3026.
58. In the HOF model, the rotational friction becomes zero if one assumes a perfect slip hydrodynamic boudary.
59. Hertz, H. G. Water, a Comprehensive Treatise; Franks, F., Ed.; Plenum: New York, 1973; Vol. 3, Chapter 7.
60. Nakahara, M.; Wakai, C. J. Chem. Phys. 1992, 97, 4413.
61. (a) Kumikova, M. G.; Balabai, N.; Waldeck, D. H.; Coalson, R. D. J. Am. Chem. Soc. 1998, 720, 6121.
62. (b) Kurnikova, M. G.; Waldeck, D. H.; Coalson, R. D. J. Chem. Phys. 1996, 705, 628.
63. Ladanyi, B. M.; Skaf, M. S. Anna. Rev. Phys. Chem. 1993, 44, 335.
64. (a) Yeh, Y.; Mou, C. J. Phys. Chem. B 1999,103, 3699.
65. (b) Saiz, L.; Padro, J. A.; Gudrdia, E. J. Phys. Chem. B 1997, 707, 78.
66. Heinje, G.; Luck, W. A. P.; Heinzinger, K. J. Phys Chem. 1987, 97, 331.
67. (b) Edward, J. T. J. Chem. Educ. 1910,47, 261.
68. Horng, M.-L.; Gardecki, J. A.; Maroncelli, M. J. Phys. Chem. A 1997, 707, 1030.
69. The hydrodynamic friction for the rotation of a nonspherical molecule remains even when the perfect slip boundary condition is assumed. (Hu, C.-M.; Zwanzig, R. J. Chem. Phys. 1974, 60, 4354.)