Homonuclear NMR correlations between half-integer quadrupolar nuclei undergoing magic-angle spinning

被引:44
作者
Edén, M [1 ]
Frydman, L [1 ]
机构
[1] Weizmann Inst Sci, Dept Chem Phys, IL-76100 Rehovot, Israel
关键词
D O I
10.1021/jp035794t
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
This study presents a theoretical, numerical, and experimental survey on the nature of homonuclear dipolar couplings in systems of half-integer quadrupolar nuclei undergoing magic-angle-spinning (MAS). Various spin interactions that do not commute with homonuclear dipolar couplings (chemical shift effects, heteronuclear dipolar couplings, quadrupolar interactions) may lead to recoupling effects under MAS, yielding a variety of pathways for transferring magnetization between proximate quadrupole nuclei in 2D correlation experiments. The Hamiltonians underlying this anisotropy-driven recoupling of the dipolar interactions are theoretically derived and their characteristics revealed from theoretical and numerical arguments. To explore when and how these various recoupling mechanisms become relevant, a variety of Na-23 and B-11 2D exchange NMR experiments were performed at different external magnetic fields and MAS frequencies on several compounds: Na2HPO4.2H(2)O, Na2SO3, disodium deoxycytidine heptahydrate, B2O3 and B10H14. The structural information content afforded by these experiments as well as their potential limitations are discussed.
引用
收藏
页码:14598 / 14611
页数:14
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