Crossref journal-article
AIP Publishing
The Journal of Chemical Physics (317)
Abstract

Using a recent investigation of the Floquet’s theorem for magic-angle spinning nuclear magnetic resonance simulations (NMR), a procedure for computing multiquantum magic-angle spinning spectra is derived. The general formalism which is introduced here can be applied more generally to any solid-state NMR two-dimensional experiments. All interactions and their time dependency are considered during the pulses. Furthermore, for powder patterns, a formal average is possible on γ (the third component of the Euler angle describing the orientation of the crystallite) which leads to great simplifications and to an improved computing efficiency. As an application, the intensity of the spinning sidebands in the two-dimensional multiquantum magic-angle spinning spectrum is investigated. The recently reported appearance of numerous spinning sidebands in the multiquantum dimension is discussed. Such effects appear naturally in the present formalism which provides a theoretical framework for further investigations. Simulations of two-dimensional spectra are compared with experimental data.

Bibliography

Charpentier, T., Fermon, C., & Virlet, J. (1998). Numerical and theoretical analysis of multiquantum magic-angle spinning experiments. The Journal of Chemical Physics, 109(8), 3116–3130.

Authors 3
  1. Thibault Charpentier (first)
  2. Claude Fermon (additional)
  3. Joseph Virlet (additional)
References 59 Referenced 53
  1. 10.1016/0009-2614(88)87362-7 / Chem. Phys. Lett. (1988)
  2. {'key': '2024021109084774000_r2', 'first-page': '470', 'volume': '86', 'year': '1990', 'journal-title': 'J. Magn. Reson.'} / J. Magn. Reson. (1990)
  3. 10.1080/00268978800101571 / Mol. Phys. (1988)
  4. {'key': '2024021109084774000_r4', 'first-page': '297', 'volume': '89', 'year': '1990', 'journal-title': 'J. Magn. Reson.'} / J. Magn. Reson. (1990)
  5. 10.1021/ja00124a023 / J. Am. Chem. Soc. (1995)
  6. 10.1021/ja00156a015 / J. Am. Chem. Soc. (1995)
  7. 10.1016/S0009-2614(97)00873-7 / Chem. Phys. Lett. (1997)
  8. {'key': '2024021109084774000_r8', 'first-page': '210', 'volume': '249', 'year': '1995', 'journal-title': 'Chem. Phys. Lett.'} / Chem. Phys. Lett. (1995)
  9. 10.1021/ja960016i / J. Am. Chem. Soc. (1996)
  10. {'key': '2024021109084774000_r10', 'first-page': '6903', 'volume': '101', 'year': '1997', 'journal-title': 'J. Phys. Chem.'} / J. Phys. Chem. (1997)
  11. 10.1016/S0926-2040(96)01277-5 / Solid State Nucl. Magn. Reson. (1997)
  12. 10.1016/0009-2614(95)00768-Y / Chem. Phys. Lett. (1995)
  13. 10.1021/jp961574m / J. Phys. Chem. (1996)
  14. 10.1021/ja9606586 / J. Am. Chem. Soc. (1996)
  15. {'key': '2024021109084774000_r15'}
  16. 10.1016/0926-2040(95)01210-9 / Solid State Nucl. Magn. Reson. (1996)
  17. 10.1006/jmra.1993.1132 / J. Magn. Reson., Ser. A (1993)
  18. 10.1006/jmra.1996.0221 / J. Magn. Reson., Ser. A (1996)
  19. 10.1006/jmra.1996.0088 / J. Magn. Reson., Ser. A (1996)
  20. 10.1006/jmre.1997.1217 / J. Magn. Reson., Ser. A (1997)
  21. 10.1016/0009-2614(92)85289-M / Chem. Phys. Lett. (1992)
  22. {'key': '2024021109084774000_r22', 'first-page': '149', 'volume': '97', 'year': '1992', 'journal-title': 'J. Magn. Reson.'} / J. Magn. Reson. (1992)
  23. 10.1016/0009-2614(96)00809-3 / Chem. Phys. Lett. (1996)
  24. 10.1006/jmre.1996.1012 / J. Magn. Reson. (1997)
  25. 10.1016/S0009-2614(97)00746-X / Chem. Phys. Lett. (1997)
  26. 10.1063/1.441857 / J. Chem. Phys. (1981)
  27. {'key': '2024021109084774000_r27', 'first-page': '255', 'volume': '79', 'year': '1988', 'journal-title': 'J. Magn. Reson.'} / J. Magn. Reson. (1988)
  28. 10.1080/00268979300100251 / Mol. Phys. (1993)
  29. 10.1080/00268979500100591 / Mol. Phys. (1995)
  30. 10.1016/0009-2614(96)00334-X / Chem. Phys. Lett. (1996)
  31. 10.1006/jmra.1996.0099 / J. Magn. Reson., Ser. A (1996)
  32. 10.1006/jmre.1998.1415 / J. Magn. Reson. (1998)
  33. {'key': '2024021109084774000_r33', 'first-page': '3717', 'volume': '84', 'year': '1996', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1996)
  34. {'key': '2024021109084774000_r34'}
  35. {'key': '2024021109084774000_r35'}
  36. 10.1016/0926-2040(92)90006-U / Solid State Nucl. Magn. Reson. (1992)
  37. {'key': '2024021109084774000_r37', 'first-page': '50', 'volume': '96', 'year': '1992', 'journal-title': 'J. Magn. Reson.'} / J. Magn. Reson. (1992)
  38. 10.1021/ja9614676 / J. Am. Chem. Soc. (1996)
  39. 10.1006/jmra.1995.1007 / J. Magn. Reson., Ser. A (1995)
  40. 10.1103/PhysRev.138.B979 / Phys. Rev. B (1965)
  41. 10.1103/PhysRevA.7.2203 / Phys. Rev. A (1973)
  42. 10.1088/0305-4470/23/13/006 / J. Phys. A (1990)
  43. 10.1063/1.445882 / J. Chem. Phys. (1983)
  44. 10.1063/1.453384 / J. Chem. Phys. (1987)
  45. 10.1021/j100185a048 / J. Chem. Phys. (1992)
  46. {'key': '2024021109084774000_r46', 'first-page': '157', 'volume': '118', 'year': '1995', 'journal-title': 'J. Magn. Reson., Ser. A'} / J. Magn. Reson., Ser. A (1995)
  47. 10.1103/PhysRevB.25.6622 / Phys. Rev. B (1982)
  48. 10.1063/1.459615 / J. Chem. Phys. (1990)
  49. {'key': '2024021109084774000_r49', 'first-page': '3452', 'volume': '96', 'year': '1992', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1992)
  50. 10.1016/0009-2614(92)80136-Y / Chem. Phys. Lett. (1992)
  51. 10.1016/0009-2614(93)85630-7 / Chem. Phys. Lett. (1993)
  52. 10.1080/00268979500102671 / Mol. Phys. (1995)
  53. 10.1063/1.474350 / J. Chem. Phys. (1997)
  54. 10.1063/1.468889 / J. Chem. Phys. (1995)
  55. 10.1080/002689797170031 / Mol. Phys. (1997)
  56. {'key': '2024021109084774000_r55', 'first-page': '1116', 'volume': '52', 'year': '1980', 'journal-title': 'Sov. Phys. JETP'} / Sov. Phys. JETP (1980)
  57. {'key': '2024021109084774000_r56', 'first-page': '403', 'volume': '67', 'year': '1986', 'journal-title': 'J. Magn. Reson.'} / J. Magn. Reson. (1986)
  58. {'key': '2024021109084774000_r57', 'first-page': '415', 'volume': '67', 'year': '1986', 'journal-title': 'J. Magn. Reson.'} / J. Magn. Reson. (1986)
  59. 10.1006/jmra.1996.0202 / J. Magn. Reson., Ser. A (1996)
Dates
Type When
Created 23 years, 1 month ago (July 26, 2002, 8:34 a.m.)
Deposited 1 year, 6 months ago (Feb. 11, 2024, 4:09 a.m.)
Indexed 1 year, 4 months ago (April 1, 2024, 7:09 a.m.)
Issued 27 years ago (Aug. 22, 1998)
Published 27 years ago (Aug. 22, 1998)
Published Print 27 years ago (Aug. 22, 1998)
Funders 0

None

@article{Charpentier_1998, title={Numerical and theoretical analysis of multiquantum magic-angle spinning experiments}, volume={109}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.476903}, DOI={10.1063/1.476903}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Charpentier, Thibault and Fermon, Claude and Virlet, Joseph}, year={1998}, month=aug, pages={3116–3130} }