Abstract
In general the analysis of neutron isotopic substitution experiments in terms of partial structure factors and partial pair distribution functions is based on the assumption that the structure of isotopic variants of a molecule is identical. This assumption is clearly only an approximation especially in the case of hydrogen bonding molecular liquids like liquid water and structural isotope effects have been measured with X-rays for more than 20 years. An analysis method of neutron isotope data is presented that avoids the necessity to assume structural equality and allows the determination of the isotope effect in the hydrogen-hydrogen partial structure factor of liquid water from neutron data. It is shown that a combination of X-ray and neutron scattering measurements allows in principle the determination of the isotope effects on all partial structure factors of liquid water.
| Original language | English |
|---|---|
| Pages (from-to) | 257-259 |
| Number of pages | 3 |
| Journal | Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment |
| Volume | 600 |
| Issue number | 1 |
| DOIs | |
| State | Published - Feb 21 2009 |
| Externally published | Yes |
Funding
This research was supported by Office of Basic Energy Sciences, US Department of Energy under Contract DE-AC05-00OR22725 with UT-Battelle. A part of the work has been performed under the US DOE Contract no. DE-AC02-06CH11357 at Argonne National Laboratory.
| Funders | Funder number |
|---|---|
| Office of Basic Energy Sciences | |
| US Department of Energy | DE-AC05-00OR22725 |
| U.S. Department of Energy |
Keywords
- Liquid water
- Structural isotope effect