Perspective: Current advances in solid-state NMR spectroscopy

被引:28
作者
Ashbrook, Sharon E. [1 ,2 ]
Hodgkinson, Paul [3 ]
机构
[1] Univ St Andrews, EaStCHEM, Sch Chem, St Andrews KY16 9ST, Fife, Scotland
[2] Univ St Andrews, Ctr Magnet Resonance, St Andrews KY16 9ST, Fife, Scotland
[3] Univ Durham, Dept Chem, Durham DH1 4RD, England
关键词
NUCLEAR-MAGNETIC-RESONANCE; QUANTUM CROSS-POLARIZATION; INTEGER QUADRUPOLAR NUCLEI; ISOTROPIC CHEMICAL-SHIFTS; DENSITY-FUNCTIONAL THEORY; METAL-ORGANIC FRAMEWORKS; HIGH-RESOLUTION NMR; MQMAS NMR; 1ST-PRINCIPLES CALCULATIONS; CRYSTAL-STRUCTURE;
D O I
10.1063/1.5038547
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
In contrast to the rapid and revolutionary impact of solution-state Nuclear Magnetic Resonance (NMR) on modern chemistry, the field of solid-state NMR has matured more slowly. This reflects the major technical challenges of much reduced spectral resolution and sensitivity in solid-state as compared to solution-state spectra, as well as the relative complexity of the solid state. In this perspective, we outline the technique developments that have pushed resolution to intrinsic limits and the approaches, including ongoing major developments in the field of Dynamic Nuclear Polarisation, that have enhanced spectral sensitivity. The information on local structure and dynamics that can be obtained using these gains in sensitivity and resolution is illustrated with a diverse range of examples from large biomolecules to energy materials and pharmaceuticals and from both ordered and highly disordered materials. We discuss how parallel developments in quantum chemical calculation, particularly density functional theory, have enabled experimental data to be translated directly into information on local structure and dynamics, giving rise to the developing field of "NMR crystallography." Published by AIP Publishing.
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页数:14
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