Intermediate range O-O correlations in supercooled water down to 235 K

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dc.contributor.author Pathak, Harshad
dc.contributor.author Spah, Alexander
dc.contributor.author Kim, Kyung Hwan
dc.contributor.author Tsironi, Ifigeneia
dc.contributor.author Mariedahl, Daniel
dc.contributor.author Blanco, Maria
dc.contributor.author Huotari, Simo
dc.contributor.author Honkimäki, Veijo
dc.contributor.author Nilsson, Anders
dc.date.accessioned 2020-06-13T23:27:23Z
dc.date.available 2021-12-18T03:45:59Z
dc.date.issued 2019-06-14
dc.identifier.citation Pathak , H , Spah , A , Kim , K H , Tsironi , I , Mariedahl , D , Blanco , M , Huotari , S , Honkimäki , V & Nilsson , A 2019 , ' Intermediate range O-O correlations in supercooled water down to 235 K ' , Journal of Chemical Physics , vol. 150 , no. 22 , 224506 . https://doi.org/10.1063/1.5100811
dc.identifier.other PURE: 126147167
dc.identifier.other PURE UUID: a8ab9ecb-0c67-46d2-a163-9c13e0c56055
dc.identifier.other WOS: 000471692400035
dc.identifier.other ORCID: /0000-0003-4506-8722/work/60611938
dc.identifier.uri http://hdl.handle.net/10138/316137
dc.description.abstract Wide angle x-ray scattering of supercooled water down to 234.8 K was studied using high energy x rays at the European Synchrotron Radiation Facility. The oxygen-oxygen pair distribution function (PDF) was calculated from the scattering pattern out to the 5th peak at an intermolecular distance, r approximate to 11 angstrom. We observe that the 4th peak and the 5th peak in the PDF increase in height upon supercooling. We also observe that the 4th peak position (r(4)) shifts to shorter distances upon supercooling consistent with previous studies, but we see a more rapid change at the lowest temperature. The running oxygen-oxygen coordination number is calculated for 5 different temperatures, and an isosbestic point at r(iso) = 3.31 +/- 0.05 angstrom was found corresponding to a coordination number of 4.39 +/- 0.15. The comparison of the PDF of the coldest water with that of amorphous ice shows distinct differences. We propose that there are 5-member pentamer rings in low density liquid-like structures giving rise to the sharp correlations at r approximate to 9 angstrom and r approximate to 11 angstrom. en
dc.format.extent 9
dc.language.iso eng
dc.relation.ispartof Journal of Chemical Physics
dc.rights cc_by
dc.rights.uri info:eu-repo/semantics/openAccess
dc.subject X-RAY-SCATTERING
dc.subject ISOTHERMAL COMPRESSIBILITY
dc.subject MOLECULAR-DYNAMICS
dc.subject ICE NUCLEATION
dc.subject LIQUID WATER
dc.subject AMBIENT
dc.subject DIFFRACTION
dc.subject DETECTOR
dc.subject TRANSITION
dc.subject PILATUS
dc.subject 114 Physical sciences
dc.subject 116 Chemical sciences
dc.title Intermediate range O-O correlations in supercooled water down to 235 K en
dc.type Article
dc.contributor.organization Department of Physics
dc.description.reviewstatus Peer reviewed
dc.relation.doi https://doi.org/10.1063/1.5100811
dc.relation.issn 0021-9606
dc.rights.accesslevel openAccess
dc.type.version publishedVersion

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