dc.contributor.author | Alexander Föhlisch | |
dc.contributor.author | Keith Gilmore | |
dc.contributor.author | Victor Kimberg | |
dc.contributor.author | Christoph J. Sahle | |
dc.contributor.author | Raphael M. Jay | |
dc.contributor.author | Faris Gel’mukhanov | |
dc.contributor.author | Marcus Dantz | |
dc.contributor.author | Annette Pietzsch | |
dc.contributor.author | Daniel E. McNally | |
dc.contributor.author | Vinicius Vaz da Cruz | |
dc.contributor.author | Sebastian Eckert | |
dc.contributor.author | Xingye Lu | |
dc.contributor.author | Johannes Niskanen | |
dc.contributor.author | Thorsten Schmitt | |
dc.contributor.author | Mattis Fondell | |
dc.date.accessioned | 2022-10-27T12:28:14Z | |
dc.date.available | 2022-10-27T12:28:14Z | |
dc.identifier.uri | https://www.utupub.fi/handle/10024/158812 | |
dc.description.abstract | 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. | |
dc.language.iso | en | |
dc.publisher | NATL ACAD SCIENCES | |
dc.title | Compatibility of quantitative X-ray spectroscopy with continuous distribution models of water at ambient conditions | |
dc.identifier.urn | URN:NBN:fi-fe2021042823958 | |
dc.relation.volume | 116 | |
dc.contributor.organization | fi=materiaalitutkimuksen laboratorio|en=Materials Research Laboratory| | |
dc.contributor.organization-code | 2606706 | |
dc.converis.publication-id | 39918592 | |
dc.converis.url | https://research.utu.fi/converis/portal/Publication/39918592 | |
dc.format.pagerange | 4063 | |
dc.format.pagerange | 4058 | |
dc.identifier.jour-issn | 0027-8424 | |
dc.okm.affiliatedauthor | Niskanen, Johannes | |
dc.okm.discipline | 114 Physical sciences | en_GB |
dc.okm.discipline | 114 Fysiikka | fi_FI |
dc.okm.internationalcopublication | international co-publication | |
dc.okm.internationality | International publication | |
dc.okm.type | Journal article | |
dc.publisher.country | Yhdysvallat (USA) | fi_FI |
dc.publisher.country | United States | en_GB |
dc.publisher.country-code | US | |
dc.relation.doi | 10.1073/pnas.1815701116 | |
dc.relation.ispartofjournal | Proceedings of the National Academy of Sciences of the United States of America | |
dc.relation.issue | 10 | |
dc.year.issued | 2019 | |