A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä
Compatibility of quantitative X-ray spectroscopy with continuous distribution models of water at ambient conditions
Tekijät: Johannes Niskanen, Mattis Fondell, Christoph J. Sahle, Sebastian Eckert, Raphael M. Jay, Keith Gilmore, Annette Pietzsch, Marcus Dantz, Xingye Lu, Daniel E. McNally, Thorsten Schmitt, Vinicius Vaz da Cruz, Victor Kimberg, Faris Gel’mukhanov, Alexander Föhlisch
Kustantaja: NATL ACAD SCIENCES
Julkaisuvuosi: 2019
Journal: Proceedings of the National Academy of Sciences of the United States of America
Tietokannassa oleva lehden nimi: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Lehden akronyymi: P NATL ACAD SCI USA
Vuosikerta: 116
Numero: 10
Aloitussivu: 4058
Lopetussivu: 4063
Sivujen määrä: 6
ISSN: 0027-8424
DOI: https://doi.org/10.1073/pnas.1815701116
Rinnakkaistallenteen osoite: https://research.utu.fi/converis/portal/detail/Publication/39918592
The phase diagram of water harbors controversial views on underlying structural properties of its constituting molecular moieties, its fluctuating hydrogen-bonding network, as well as pair-correlation functions. In this work, long energy-range detection of the X-ray absorption allows us to unambiguously calibrate the spectra for water gas, liquid, and ice by the experimental atomic ionization cross-section. In liquid water, we extract the mean value of 1.74 +/- 2.1% donated and accepted hydrogen bonds per molecule, pointing to a continuous-distribution model. In addition, resonant inelastic X-ray scattering with unprecedented energy resolution also supports continuous distribution of molecular neighborhoods within liquid water, as do X-ray emission spectra once the femtosecond scattering duration and proton dynamics in resonant X-ray-matter interaction are taken into account. Thus, X-ray spectra of liquid water in ambient conditions can be understood without a two-structure model, whereas the occurrence of nanoscale-length correlations within the continuous distribution remains open.
Ladattava julkaisu This is an electronic reprint of the original article. |  |
