Line-Shape Analyses of Solid-state 17O NMR Spectra for Hexagonal Ice
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Kazuhiko Yamada
,
Kenzo Deguchi
We present the results of experimental and theoretical investigations of line shapes in solid-state 17O NMR spectra of hexagonal ice, Ih. Stationary 17O NMR spectra of Ih at temperatures from 143 to 280 K were obtained at 11.7 and 16.4 T. Line shapes changed drastically as the temperature was increased from 143 to 243 K; at 253 K and above, pseudo-isotropic line shapes appear, indicating the presence of reorientational motions. We find that Ratcliffe’s model, which involves twelve orientations and four-step jumps for water reorientational motions, is effective for analyzing the NMR spectra at temperatures below 243 K. The present analysis demonstrates that the isotropic line shapes arise from proton disorder with respect to the solid-state 17O NMR time scale, producing pseudoicosahedral motional averaging that can completely average out second-order quadrupole interactions.
Graphical Abstract
Line-Shape Analyses of Solid-state 17O NMR Spectra for Hexagonal Ice
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Articles in the same Issue
- Synthesis, Structure and Thermal Decomposition of a New Iodine Inclusion Compound in the 2,2-Dimethylpropane-1,3-diamine/HI/I2 System
- Rapid Microwave Synthesis and Structural Phase Diagram of LnxY1−xMnO3
- Gold-Tin Ordering in SrAu2Sn2
- The Stannides EuPd2Sn2, EuPt2Sn2, EuAu2Sn2, and Eu5.4Sn5.6 – Structure and Magnetic Properties
- Line-Shape Analyses of Solid-state 17O NMR Spectra for Hexagonal Ice
- A Novel Alkali-Metal Hydrido-tris(pyrazolyl)borate (Tp*) Complex. Isolation and Crystal Structure of [(Me2CO)3(NaTp*)2]
- Synthesis and Structure of an Aluminum Bis(3-chloropentanedionate) Isopropoxide: [Al(μ-OiPr)(3-Clacac)2]2
- Carbon-modified MgH2: Experimental and ab-initio Investigations
- Synthesis and Antitumor Activity of Some N2-(Thien-3-yl)amidrazones
- Synthesis of New TGX-221 Analogs
- Crystal Structure Explains Crystal Habit for the Antiviral Drug Rimantadine Hydrochloride
- The Reaction of Cyanamidium Salts with Ylidenecyanamide Derivatives
- Iridoid Glycosides from Lagotis alutacea
- Solid-state and Calculated Electronic Structure of 4-Acetylpyrazole
