Second-order recoupling of chemical-shielding and dipolar-coupling tensors under spin decoupling in solid-state NMR

被引:61
作者
Ernst, M
Bush, S
Kolbert, AC
Pines, A
机构
[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
[2] UNIV CALIF BERKELEY,LAWRENCE BERKELEY LAB,DIV MAT SCI,BERKELEY,CA 94720
关键词
D O I
10.1063/1.472224
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
The source of the residual line broadening in continuous-wave (cw) decoupled spectra under magic-angle sample spinning conditions is reexamined. It is shown that an important contribution to the line broadening comes from a second-order recoupling of the heteronuclear dipolar-coupling tensor and the chemical-shielding tensor of the irradiated spin. Such an interference between the two tensors leads to a sum of a zeroth-rank, a second-rank, and a fourth-rank tensor component in the Hamiltonian. The zeroth-rank and the fourth-rank tensor components are not averaged out under magic-angle sample spinning (MAS) conditions, requiring the use of higher-order averaging such as double rotation (DOR) for obtaining narrow lines. This broadening is distinctly different from off-resonance decoupling effects which transform as a second-rank tensor and can be averaged out by MAS. The properties of this second-order recoupling as a source of structural information are explored, and the conditions for removing the broadening in systems with weak homonuclear dipolar-coupling networks are discussed. (C) 1996 American Institute of Physics.
引用
收藏
页码:3387 / 3397
页数:11
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