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Title: Isotopic quantum effects on the structure of low density amorphous ice.

Abstract

Careful neutron diffraction measurements on deuterated low density amorphous (LDA) ice confirm that at 120 K it can be considered a fully ''annealed'' structure, as no significant changes are observed in the amorphous spectra until crystallization occurred over time at 130 K. On this basis, the measurement of structural differences between the hydrogenated and deuterated forms of LDA ice at 120 K, have been carried out using 98 keV electromagnetic radiation diffraction techniques. The maximum observed isotope effect in LDA ice is {approx} 3.4% at 40 K when compared to the magnitude of the first peak in the electronic structure factor at Q = 1.70 {angstrom}{sup -1}. This compares to a maximum effect of {approx} 1.6% previously measured in liquid water at room temperature (Tomberli et al 2000 J. Phys.: Condens. Matter. 12 2597). The isotope effect is shown to be similar to a temperature shift in the structure of light LDA ice. However, the existence of a first sharp diffraction peak at Q = 1.0 {angstrom}{sup -1} in the isotopic difference function is not reproduced in the temperature difference and suggests that additional longer-range correlations are present in the more ordered deuterated form.

Authors:
; ; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Intense Pulsed Neutron Source, Argonne National Laboratory, Argonne, IL (US); Univ. of Guelph, Ontario (CA); Oak Ridge National Lab., TN (US); National Research Council of Canada (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
15004971
DOE Contract Number:  
W-31-109-ENG-38
Resource Type:
Journal Article
Journal Name:
J. Phys. Cond. Matter
Additional Journal Information:
Journal Volume: 15; Journal Issue: 22; Other Information: PBD: 11 Jun 2003; Related Information: 2003
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ICE; DENSITY; AMORPHOUS STATE; MORPHOLOGY; DEUTERIUM COMPOUNDS; CRYSTALLIZATION; ELECTRONIC STRUCTURE; ISOTOPE EFFECTS; NEUTRON DIFFRACTION; INTENSE PULSED NEUTRON SOURCE

Citation Formats

Urquidi, J., Benmore, C. J., Neuefeind, J., Tomberli, B., Tulk, C. A., Egelstaff, P. A., Klug, D.D., CHM, IPNS, and APS-USR. Isotopic quantum effects on the structure of low density amorphous ice.. United States: N. p., 2003. Web. doi:10.1088/0953-8984/15/22/301.
Urquidi, J., Benmore, C. J., Neuefeind, J., Tomberli, B., Tulk, C. A., Egelstaff, P. A., Klug, D.D., CHM, IPNS, & APS-USR. Isotopic quantum effects on the structure of low density amorphous ice.. United States. doi:10.1088/0953-8984/15/22/301.
Urquidi, J., Benmore, C. J., Neuefeind, J., Tomberli, B., Tulk, C. A., Egelstaff, P. A., Klug, D.D., CHM, IPNS, and APS-USR. Wed . "Isotopic quantum effects on the structure of low density amorphous ice.". United States. doi:10.1088/0953-8984/15/22/301.
@article{osti_15004971,
title = {Isotopic quantum effects on the structure of low density amorphous ice.},
author = {Urquidi, J. and Benmore, C. J. and Neuefeind, J. and Tomberli, B. and Tulk, C. A. and Egelstaff, P. A. and Klug, D.D. and CHM and IPNS and APS-USR},
abstractNote = {Careful neutron diffraction measurements on deuterated low density amorphous (LDA) ice confirm that at 120 K it can be considered a fully ''annealed'' structure, as no significant changes are observed in the amorphous spectra until crystallization occurred over time at 130 K. On this basis, the measurement of structural differences between the hydrogenated and deuterated forms of LDA ice at 120 K, have been carried out using 98 keV electromagnetic radiation diffraction techniques. The maximum observed isotope effect in LDA ice is {approx} 3.4% at 40 K when compared to the magnitude of the first peak in the electronic structure factor at Q = 1.70 {angstrom}{sup -1}. This compares to a maximum effect of {approx} 1.6% previously measured in liquid water at room temperature (Tomberli et al 2000 J. Phys.: Condens. Matter. 12 2597). The isotope effect is shown to be similar to a temperature shift in the structure of light LDA ice. However, the existence of a first sharp diffraction peak at Q = 1.0 {angstrom}{sup -1} in the isotopic difference function is not reproduced in the temperature difference and suggests that additional longer-range correlations are present in the more ordered deuterated form.},
doi = {10.1088/0953-8984/15/22/301},
journal = {J. Phys. Cond. Matter},
number = 22,
volume = 15,
place = {United States},
year = {2003},
month = {6}
}