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Hydrogen bonding in ethanol – a high pressure neutron diffraction study
- Source :
- High Pressure Research. 39:179-184
- Publication Year :
- 2019
- Publisher :
- Informa UK Limited, 2019.
-
Abstract
- We have determined the high pressure structure of perdeuterated ethanol by using neutron powder diffraction in the pressure region ∼2.5–4.0 GPa and compare it to that previously measured by single-crystal X-ray diffraction and the one suggested by ab initio structure calculations. In contrast to previous X-ray single-crystal studies, we see no evidence for a disordered proton around the hydroxyl group, but confirm the monoclinic symmetry in the measured pressure region. We also present the compression behaviour of the unit cell in this pressure range.
- Subjects :
- Neutron powder diffraction
Ethanol
Materials science
Hydrogen bond
Neutron diffraction
Analytical chemistry
macromolecular substances
Crystal structure
010502 geochemistry & geophysics
Condensed Matter Physics
01 natural sciences
chemistry.chemical_compound
Molecular solid
stomatognathic system
chemistry
High pressure
biological sciences
0103 physical sciences
010306 general physics
0105 earth and related environmental sciences
Subjects
Details
- ISSN :
- 14772299 and 08957959
- Volume :
- 39
- Database :
- OpenAIRE
- Journal :
- High Pressure Research
- Accession number :
- edsair.doi.dedup.....d250ced5d3be2d9e110990499e04c4da