Paramagnetic NMR relaxation enhancement: Spin dynamics simulations of the effect of zero-field splitting interactions for S = 5/2

Journal of Physical Chemistry A

Volumn 104, Issue 21, 2000, Pages 4889-4895

  Miller, Jeremy C ^a   Sharp, Robert R ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MAGNETIC FIELDS; MAGNETIC RELAXATION; MOLECULES; PARAMAGNETIC RESONANCE;

MAGNETIC FIELD DISPERSION PROFILE; PARAMAGNETIC RELAXATION ENHANCEMENT; SPIN DYNAMICS SIMULATIONS; STATIC ZERO FIELD SPLITTING INTERACTIONS;

NUCLEAR MAGNETIC RESONANCE;

EID: 0033748846     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000418j     Document Type: Article

References (29)

1. Dwek, R. A. NMR in Biology; Academic: London, 1977.
2. Banci, L.; Bertini, I.; Luchinat, C. Nuclear and Electron Relaxation', VCH Publishers: Weinheim, Germany, 1991.
3. Bertini, I.; Luchinat, C. Coord. Chem. Rev. 1996, 150.
4. Solomon, I. Phys. Rev. 1955, 99, 555.
5. Bloembergen, N. J. Chem. Phys. 1957, 34, 842.
6. Bloembergen, N.; Morgan, L. O. J. Chem. Phys. 1961, 34, 842.
7. Bryant, L. H.; Hodges, M. W.; Bryant, R. G. Inorg. Chem. 1999, 38, 1002.
8. Strandbere, E.; Westlund, P.-O. J. Magn. Reson. 1999, 137, 333.
9. Luz, Z.; Meiboom, S. J Chem. Phys. 1965, 40, 2686.
10. Luz, Z.; Shulman, R. G. J. Chem. Phys. 1965, 43, 3750.
11. Bernheim, R. A.; Brown, T. H.; Gutowsky, H. S.; Woessner, D. E. J. Chem. Phys. 1959, 30, 950.
12. Koenig, S. H.; Brown, R. D.; Studebaker, H. D. J. Cold Spring Harbor Symp. Quant. Biol. 1974, 36, 551.
13. Abernathy, S. M.; R. R. Sharp, R. R. J. Phys. Chem. 1997, 101, 3692.
14. Miller, J. C.; Abernathy, S. M.; Sharp, R. R. J. Phys. Chem., in press.
15. Sharp, R. R.; Abernathy, S. M.; Lohr, L. L. J. Chem. Phys. 1997, 707, 7620.
16. Abernathy, S. M.; Sharp, R. R. J. Chem. Phys. 1977, 106, 9032.
17. M. Rubinstein, M.; Baram, A; Luz, Z. Mol. Phys. 1971, 20, 67.
18. Al'tshuler, S. A.; Valiev, K. A. Sov. Phys. JETP 1959, 35, 661.
19. Carrington, A.; Luckhurst, G. R. Mol. Phys. 1964, S, 125.
20. Westlund, P. O. J. Chem. Phys 1998, 108, 4945.
21. Bertini, C.; Kowalewski, J.; Luchinat, C; Nilsson, T.; Parigi, G. J. Chem. Phys. 1999, HI, 5795.
22. The most extensive examination of the point was undertaken by Odelius et al. with respect to the Ni(II) hexaqua cation: Odelius, M.; Ribbins, C.; Kowalewski, J. J. Chem. Phys. 1995, 103, 1800;
23. J. Chem. Phys. 1996, 104, 3181.
24. Powell, D. H. J. Phys.: Condens. Matter 1989, J, 8721.
25. Abragam, A. The Principles of Nuclear Magnetism; Oxford University: London; 1961; Chapter 8.
26. I), while not strictly proportional to NMR relaxation efficiency, are nevertheless very useful for describing the properties of individual spin transitions with respect to their contributions to the NMR-PRE.
27. I is shifted out from under the zero-frequency dipolar power band.
28. Sharp, R. R. J. Chem. Phys. 1993, 98, 2507.
29. Abernathy, S. M.; Miller, J. C.; Lohr, L. L.; Sharp, R. R. J. Chem. Phys. 1998, 709, 4035.