"pop-On and Pop-Off" Surface Chemistry of Alanine on Ni{111} under Elevated Hydrogen Pressures

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dc.contributor.authorNicklin R.E.J.
dc.contributor.authorShavorskiy A.
dc.contributor.authorAksoy Akgul F.
dc.contributor.authorLiu Z.
dc.contributor.authorBennett R.A.
dc.contributor.authorSacchi M.
dc.contributor.authorHeld G.
dc.date.accessioned2019-08-01T13:38:39Z
dc.date.available2019-08-01T13:38:39Z
dc.date.issued2018
dc.departmentNiğde ÖHÜ
dc.description.abstractThe coadsorption of hydrogen with a simple chiral modifier, alanine, on Ni{111} was studied using density functional theory in combination with ambient-pressure X-ray photoelectron spectroscopy and X-ray absorption spectroscopy at temperatures of 300 K and above, which are representative of chiral hydrogenation reactions. Depending on the hydrogen pressure, the surface enables protons to "pop-on and -off" the modifier molecules, thus significantly altering the adsorption geometry and chemical nature of alanine from anionic tridentate in ultrahigh vacuum to predominantly zwitterionic bidentate at hydrogen pressures above 0.1 Torr. This hydrogen-stabilized modifier geometry allows alternative mechanisms for proton transfer and the creation of enatioselective reaction environments. © 2018 American Chemical Society.
dc.description.sponsorshipEngineering and Physical Sciences Research Council M.S.I. Foundation Royal Society
dc.description.sponsorshipThe research leading to these results has received funding from the UK’s EPSRC through grants EP/G068593/1 and EP/ H015493/1. M.S. acknowledges the Royal Society for funding his fellowship and the HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202), for use of the ARCHER UK National Supercomputing Service. The authors also thank the staff of ALS for their help during the experiments.
dc.identifier.doi10.1021/acs.jpcc.8b00186
dc.identifier.endpage7730
dc.identifier.issn1932-7447
dc.identifier.issue14
dc.identifier.scopus2-s2.0-85045389368
dc.identifier.scopusqualityQ1
dc.identifier.startpage7720
dc.identifier.urihttps://dx.doi.org/10.1021/acs.jpcc.8b00186
dc.identifier.urihttps://hdl.handle.net/11480/1665
dc.identifier.volume122
dc.identifier.wosWOS:000430255900019
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthor[0-Belirlenecek]
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.relation.ispartofJournal of Physical Chemistry C
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.title"pop-On and Pop-Off" Surface Chemistry of Alanine on Ni{111} under Elevated Hydrogen Pressures
dc.typeArticle

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