Projects per year
Abstract
The method of oxygen isotope substitution in neutron diffraction is introduced as a site specific structural probe. It is employed to measure the structure of light versus heavy water, thus circumventing the assumption of isomorphism between H and D as used in more traditional neutron diffraction methods. The intramolecular and intermolecular O-H and O-D pair correlations are in excellent agreement with path integral molecular dynamics simulations, both techniques showing a difference of ≃0.5% between the O-H and O-D intramolecular bond distances. The results support the validity of a competing quantum effects model for water in which its structural and dynamical properties are governed by an offset between intramolecular and intermolecular quantum contributions
Original language | English |
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Article number | 145501 |
Number of pages | 5 |
Journal | Physical Review Letters |
Volume | 107 |
Issue number | 14 |
Early online date | 29 Sept 2011 |
DOIs | |
Publication status | Published - 30 Sept 2011 |
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Dive into the research topics of 'Oxygen as a site specific probe of the structure of water and oxide materials'. Together they form a unique fingerprint.Projects
- 4 Finished
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Partial Structure Factors by Means of Oxygen Isotope Substitution
Science and Technology Facilities Council
21/04/10 → 20/08/10
Project: Research council
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Partial Structure Factors by Means of Oxygen Isotope Substitution
Science and Technology Facilities Council
19/03/09 → 31/12/09
Project: Research council
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Glassy and Liquid Networks: Deformability and Manipulation
Engineering and Physical Sciences Research Council
1/10/08 → 30/12/11
Project: Research council