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首页> 外文期刊>journal of chemical physics >Nuclear Magnetic Resonance of Single Crystals of D2O Ice
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Nuclear Magnetic Resonance of Single Crystals of D2O Ice

机译:Nuclear Magnetic Resonance of Single Crystals of D2O Ice

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Quadrupole splitting of the deuteron magnetic resonance was measured in single crystals of solid D2O at mdash;10deg;C. For deuterons on the hexagonal crystal axis,eQq1/hequaled 213.2plusmn;0.8 kc/sec, and verbar; eegr;1verbar; was equal to 0.100plusmn;0.002. For the other deuterons,eQq2/hwas found to be equal to 216.4plusmn;1.0 kc/sec. No change in the line separations was observed at a temperature of mdash;70deg;C. No evidence was found for hindered rotation of the D2O molecules nor for intermolecular deuteron transfer at mdash;10deg;C. Lower limits to the barriers hindering these motions were estimated; these limits permit estimates to be made of hydrogenhyphen;bond energies. The coupling constants in the solid are about 30 less than those reported for the free molecule. Most of this decrease must be ascribed to electronic structural changes brought about as a result of hydrogenhyphen;bond formation.

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