title: Oxygen as a site specific probe of the structure of water and oxide materials.
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.
authors: Department of Physics, University of Bath, Bath, BA2 7AY, United Kingdom.
authors: Anita
authors: A
authors: Zeidler
authors: Philip S
authors: PS
authors: Salmon
authors: Henry E
authors: HE
authors: Fischer
authors: Jörg C
authors: JC
authors: Neuefeind
authors: J Mike
authors: JM
authors: Simonson
authors: Hartmut
authors: H
authors: Lemmel
authors: Helmut
authors: H
authors: Rauch
authors: Thomas E
authors: TE
authors: Markland