Modelling one- and two-dimensional solid-state NMR spectra

被引:3738
作者
Massiot, D
Fayon, F
Capron, M
King, I
Le Calvé, S
Alonso, B
Durand, JO
Bujoli, B
Gan, ZH
Hoatson, G
机构
[1] CNRS, Ctr Rech Mat Haute Temp, F-45071 Orleans 2, France
[2] Univ Durham, Dept Chem, Durham, England
[3] Univ Montpellier 2, Lab chim Mol & Org Solide, UMR 5637, F-34095 Montpellier 05, France
[4] UMR CNRS 6513, Synth Organ Lab, F-44322 Nantes 03, France
[5] NHMFL, Ctr Interdisciplinary Magnet Resonance, Tallahassee, FL 32310 USA
[6] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA
关键词
NMR; 1D; 2D solid-state NMR; fit or model; MQMAS; STMAS; HETCOR; Lee-Goldburg;
D O I
10.1002/mrc.984
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
With the description of more and more complex one- and two-dimensional NMR experiments comes the need to develop methods to make a comprehensive interpretation of the various different experiments that can be carried out on the same sample or series of related samples. We present some examples of modelling one- and two-dimensional solid-state NMR spectra of I = 1/2 spin and quadrupolar nuclei, using laboratory-developed software that is made available to the NMR community. Copyright (C) 2001 John Wiley Sons, Ltd.
引用
收藏
页码:70 / 76
页数:9
相关论文
共 27 条
[1]  
AMOUREUX JP, 1990, NATO ASI SER C, V322, P409
[2]   Investigation of A1-O-Si bond angle in glass by 27Al 3Q-MAS NMR and molecular dynamics [J].
Angeli, F ;
Delaye, JM ;
Charpentier, T ;
Petit, JC ;
Ghaleb, D ;
Faucon, P .
CHEMICAL PHYSICS LETTERS, 2000, 320 (5-6) :681-687
[3]   SIMPSON: A general simulation program for solid-state NMR spectroscopy [J].
Bak, M ;
Rasmussen, JT ;
Nielsen, NC .
JOURNAL OF MAGNETIC RESONANCE, 2000, 147 (02) :296-330
[4]   ISOTROPIC SPECTRA OF HALF-INTEGER QUADRUPOLAR SPINS FROM BIDIMENSIONAL MAGIC-ANGLE-SPINNING NMR [J].
FRYDMAN, L ;
HARWOOD, JS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (19) :5367-5368
[5]   Isotropic NMR spectra of half-integer quadrupolar nuclei using satellite transitions and magic-angle spinning [J].
Gan, ZH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (13) :3242-3243
[6]   Satellite transition magic-angle spinning nuclear magnetic resonance spectroscopy of half-integer quadrupolar nuclei [J].
Gan, ZH .
JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (24) :10845-10853
[7]  
GRANDINETTI PJ, 1995, ENCY NUCLEAR MAGNETI
[8]  
GRANT DM, 1995, ENCY NUCLEAR MAGNETI
[9]   Broadband dipolar recoupling in the nuclear magnetic resonance of rotating solids:: A compensated C7 pulse sequence [J].
Hohwy, M ;
Jakobsen, HJ ;
Edén, M ;
Levitt, MH ;
Nielsen, NC .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (07) :2686-2694
[10]   A space group assignment of ZrP2O7 obtained by 31P solid state NMR [J].
King, IJ ;
Fayon, F ;
Massiot, D ;
Harris, RK ;
Evans, JSO .
CHEMICAL COMMUNICATIONS, 2001, (18) :1766-1767