High-Resolution 17O NMR Spectroscopy of Structural Water

被引：27

作者：

Keeler, Eric G. ^{[1
,2
,7
]}

Michaelis, Vladimir K. ^{[1
,2
,6
]}

Wilson, Christopher B. ^{[2
,3
,5
]}

Hung, Ivan ^{[4
]}

Wang, Xiaoling ^{[4
,5
]}

Gan, Zhehong ^{[4
]}

Griffin, Robert G. ^{[1
,2
]}

机构：

[1] MIT, Dept Chem, Cambridge, MA 02139 USA

[2] MIT, Francis Bitter Magnet Lab, 77 Massachusetts Ave, Cambridge, MA 02139 USA

[3] MIT, Dept Phys, Cambridge, MA 02139 USA

[4] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA

[5] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93160 USA

[6] Univ Alberta, Dept Chem, Edmonton, AB T6G 2G2, Canada

[7] Columbia Univ, Dept Chem, New York, NY 10027 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2019年 / 123卷 / 14期

基金：

加拿大自然科学与工程研究理事会; 美国国家卫生研究院; 美国国家科学基金会;

关键词：

MULTIPLE-QUANTUM MAS; DYNAMIC NUCLEAR-POLARIZATION; PROTEIN INTERACTIONS; MAGNETIC-RESONANCE; MICROCRYSTALLINE CRH; QUADRUPOLAR NUCLEI; ROSETTE NANOTUBES; NATURAL-ABUNDANCE; AMYLOID FIBRILS; OXYGEN SITES;

D O I：

10.1021/acs.jpcb.9b02277

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 importance of studying site-specific interactions of structurally similar water molecules in complex systems is well known. We demonstrate the ability to resolve four distinct bound water environments within the crystal structure of lanthanum magnesium nitrate hydrate via O-17 solid state nuclear magnetic resonance (NMR) spectroscopy. Using high -resolution multidimensional experiments at high magnetic fields (18.8-35.2 T), each individual water environment was resolved. The quadrupole coupling constants and asymmetry parameters of the O-17 of each water were determined to be between 6.6 and 7.1 MHz, 0.83 and 0.90, respectively. The resolution of the four unique, yet similar, structural waters within a hydrated crystal via O-17 NMR spectroscopy demonstrates the ability to decipher the unique electronic environment of structural water within a single hydrated crystal structure.

引用

页码：3061 / 3067

页数：7

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