Syntheses and Crystal Structures of Sodium Hydrogen Fluorides NaF·nHF (n = 2, 3, 4)

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en Ivlev, Sergei I. Soltner, Theresa Karttunen, Antti J. Mühlbauer, Martin J. Kornath, Andreas J. Kraus, Florian 2018-11-09T13:06:18Z 2018-11-09T13:06:18Z 2017-11-17
dc.identifier.citation Ivlev , S I , Soltner , T , Karttunen , A J , Mühlbauer , M J , Kornath , A J & Kraus , F 2017 , ' Syntheses and Crystal Structures of Sodium Hydrogen Fluorides NaF·nHF (n = 2, 3, 4) ' , Zeitschrift fur Anorganische und Allgemeine Chemie , vol. 643 , no. 21 , pp. 1436-1443 . en
dc.identifier.issn 0044-2313
dc.identifier.issn 1521-3749
dc.identifier.other PURE UUID: 63d29177-0931-4a20-8e41-0bdefb3aa74c
dc.identifier.other PURE ITEMURL:
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dc.description.abstract A series of higher sodium hydrogen fluorides were synthesized and structurally characterized. Sodium tetrahydrogen pentafluoride, NaH4F5, crystallizes in space group type I41/a with cell parameters a = 6.0275(4), c = 11.6208(13) Å, V = 422.19(7) Å3, Z = 4 at 100 K. Sodium trihydrogen tetrafluoride, NaH3F4, crystallizes in space group type R3 with cell parameters a = 6.5139(4), c = 13.4040(15) Å, V = 492.55(8) Å3, Z = 6 at 100 K. Sodium dihydrogen trifluoride, NaH2F3, crystallizes in space group type Pnma with cell parameters a = 7.9276(9), b = 3.4514(3), c = 9.6937(10) Å, V = 265.23(5) Å3, Z = 4 at 100 K. The investigations were complemented by IR spectroscopy and theoretical calculations. NaH2F3 was additionally characterized by means of powder neutron diffraction. All observed F–H···F hydrogen bonds are unsymmetric, close to linearity and can be considered as strong hydrogen bonds. en
dc.format.extent 8
dc.format.extent 1436-1443
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries Zeitschrift fur Anorganische und Allgemeine Chemie en
dc.relation.ispartofseries Volume 643, issue 21 en
dc.rights openAccess en
dc.subject.other Inorganic Chemistry en
dc.subject.other 116 Chemical sciences en
dc.title Syntheses and Crystal Structures of Sodium Hydrogen Fluorides NaF·nHF (n = 2, 3, 4) en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department University of Marburg
dc.contributor.department Ludwig Maximilian University of Munich
dc.contributor.department Department of Chemistry and Materials Science
dc.contributor.department Technical University of Munich
dc.subject.keyword Crystal structure
dc.subject.keyword Density functional calculations
dc.subject.keyword Hydrogen bonds
dc.subject.keyword IR spectroscopy
dc.subject.keyword Neutron diffraction
dc.subject.keyword Sodium hydrogen fluorides
dc.subject.keyword Inorganic Chemistry
dc.subject.keyword 116 Chemical sciences
dc.identifier.urn URN:NBN:fi:aalto-201811095653
dc.identifier.doi 10.1002/zaac.201700228
dc.type.version acceptedVersion

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