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

被引:27
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 [J].
GREENFIELD, MS ;
RONEMUS, AD ;
VOLD, RL ;
VOLD, RR ;
ELLIS, PD ;
RAIDY, TE .
JOURNAL OF MAGNETIC RESONANCE, 1987, 72 (01) :89-107
[3]   SIDEBAND INTENSITIES IN NMR-SPECTRA OF SAMPLES SPINNING AT THE MAGIC ANGLE [J].
HERZFELD, J ;
BERGER, AE .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (12) :6021-6030
[4]   INVESTIGATION OF EXCHANGE PROCESSES BY 2-DIMENSIONAL NMR-SPECTROSCOPY [J].
JEENER, J ;
MEIER, BH ;
BACHMANN, P ;
ERNST, RR .
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 [J].
LAUSCH, M ;
SPIESS, HW .
JOURNAL OF MAGNETIC RESONANCE, 1983, 54 (03) :466-479
[7]   THEORY AND SIMULATIONS OF HOMONUCLEAR SPIN PAIR SYSTEMS IN ROTATING SOLIDS [J].
LEVITT, MH ;
RALEIGH, DP ;
CREUZET, F ;
GRIFFIN, RG .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (11) :6347-6364
[8]   NMR IN ROTATING SOLIDS [J].
MARICQ, MM ;
WAUGH, JS .
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 [J].
SCHMIDT, A ;
VEGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (12) :6895-6907