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Toward Heterolytic Bond Dissociation of Dihydrogen: The Study of Hydrogen in Arsenolite under High Pressure

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cris.lastimport.scopus2024-02-12T20:46:14Z
dc.abstract.enThe discovery of arsenic(III) oxide hydrogen inclusion compound As4O6·2H2 formed under high pressure is presented. Synchrotron X-ray diffraction experiments and DFT computations permit for a proposal of the compound’s structural model, whereas Raman scattering experiments reveal significant softening of H–H stretching mode. This is attributed to the onset of heterolytic H–H bond dissociation induced by hydrogen interactions with arsenic(III) lone electron pairs based on ICOOP and ICOHP computational studies.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorZachara, Janusz
dc.contributor.authorHanfland, M.
dc.contributor.authorGuńka, Piotr
dc.contributor.authorHapka, Michał
dc.contributor.authorChałasiński, Grzegorz
dc.date.accessioned2024-01-26T11:04:05Z
dc.date.available2024-01-26T11:04:05Z
dc.date.issued2019
dc.description.financeNie dotyczy
dc.description.number27
dc.description.volume123
dc.identifier.doi10.1021/ACS.JPCC.9B04331
dc.identifier.issn1932-7447
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/123577
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofJournal of Physical Chemistry C
dc.relation.pages16868-16872
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleToward Heterolytic Bond Dissociation of Dihydrogen: The Study of Hydrogen in Arsenolite under High Pressure
dc.typeJournalArticle
dspace.entity.typePublication