Time-domain calculation of chemical exchange effects in the NMR spectra of rotating solids

被引:26
作者
Duer, M. J. [1 ]
Levitt, M. H. [2 ]
机构
[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England
[2] Univ Stockholm, Arrhenius Lab, S-10691 Stockholm, Sweden
关键词
solid-state NMR; chemical exchange; magic-angle spinning; simulation; spinning sidebands;
D O I
10.1016/S0926-2040(10)80006-2
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A simple method is described for the calculation of magic-angle-spinning (MAS) spectra of solids in the presence of chemical exchange. The method converges quickly, allowing rapid calculation of the spectra, Calculated spectra are given for molecular motion involving 2 and 6 sites.
引用
收藏
页码:211 / 215
页数:5
相关论文
共 19 条
  • [1] Abragam A., 1989, PRINCIPLES NUCL MAGN
  • [2] DEUTERIUM QUADRUPOLE-ECHO NMR-SPECTROSCOPY .3. PRACTICAL ASPECTS OF LINESHAPE CALCULATIONS FOR MULTIAXIS ROTATIONAL PROCESSES
    GREENFIELD, MS
    RONEMUS, AD
    VOLD, RL
    VOLD, RR
    ELLIS, PD
    RAIDY, TE
    [J]. JOURNAL OF MAGNETIC RESONANCE, 1987, 72 (01): : 89 - 107
  • [3] SIDEBAND INTENSITIES IN NMR-SPECTRA OF SAMPLES SPINNING AT THE MAGIC ANGLE
    HERZFELD, J
    BERGER, AE
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (12) : 6021 - 6030
  • [4] INVESTIGATION OF EXCHANGE PROCESSES BY 2-DIMENSIONAL NMR-SPECTROSCOPY
    JEENER, J
    MEIER, BH
    BACHMANN, P
    ERNST, RR
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11) : 4546 - 4553
  • [5] Kubo R., 1969, ADV CHEM PHYS, VXV
  • [6] DEUTERON SPIN ALIGNMENT SPECTRA OF POWDERS IN PRESENCE OF ULTRASLOW MOTIONS
    LAUSCH, M
    SPIESS, HW
    [J]. JOURNAL OF MAGNETIC RESONANCE, 1983, 54 (03) : 466 - 479
  • [7] THEORY AND SIMULATIONS OF HOMONUCLEAR SPIN PAIR SYSTEMS IN ROTATING SOLIDS
    LEVITT, MH
    RALEIGH, DP
    CREUZET, F
    GRIFFIN, RG
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (11) : 6347 - 6364
  • [8] NMR IN ROTATING SOLIDS
    MARICQ, MM
    WAUGH, JS
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (07) : 3300 - 3316
  • [9] Mehring M., 1983, PRINCIPLES HIGH RESO
  • [10] NMR LINE-SHAPE ANALYSIS FOR 2-SITE EXCHANGE IN ROTATING SOLIDS
    SCHMIDT, A
    VEGA, S
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (12) : 6895 - 6907