Orientation and dynamics of water molecules in beryl

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F23%3A00575359" target="_blank" >RIV/68378271:_____/23:00575359 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11320/23:10468805
Result on the web
<a href="https://hdl.handle.net/11104/0345146" target="_blank" >https://hdl.handle.net/11104/0345146</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1063/5.0131510" target="_blank" >10.1063/5.0131510</a>

Result language
angličtina
Original language name
Orientation and dynamics of water molecules in beryl
Original language description
Behavior of individual molecules of normal and heavy water in beryl single crystals was studied by 1 H and 2H nuclear magnetic resonance spectroscopy. From temperature dependences of the spectra, we deduce that type-I water molecules embedded in the beryl voids are oriented quite differently from the view established in the literature: Different from the earlier assumptions, their H–H lines deviate by about 18 degrees from the hexagonal axis. We suggest that this is due to the molecules attaching to the oxygen atoms forming the beryl structural voids by a hydrogen bond. Our analysis shows that the molecules perform two types of movement: (i) rapid librations around the axis of the hydrogen bond and (ii) less frequent orientational jumps among the 12 possible binding sites in the beryl voids. The frequencies of the librational motions are evaluated from a simple thermodynamic model, providing good agreement with the frequencies of librations from optical experiments reported earlier.n
Czech name
—
Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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