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

Nicklin, Richard Edward John, Shavorskiy, Andrey, Aksoy Akgul, Funda, Liu, Zhi, Bennett, Roger Alexander, Sacchi, Marco and Held, Georg (2018) "Pop-On and Pop-Off" Surface Chemistry of Alanine on Ni{111} Under Elevated Hydrogen Pressures The Journal of Physical Chemistry C, 122 (14). pp. 7720-7730.

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The co-adsorption 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 ultra-high vacuum to predominantly zwitterionic bidentate at hydrogen pressures above 0.1 Torr. This hydrogen-stabilised modifier geometry allows alternative mechanisms for proton transfer and the creation of enatioselective reaction environments.

Item Type: Article
Divisions : Faculty of Engineering and Physical Sciences > Chemistry
Authors :
Nicklin, Richard Edward John
Shavorskiy, Andrey
Aksoy Akgul, Funda
Liu, Zhi
Bennett, Roger Alexander
Held, Georg
Date : 20 March 2018
Funders : Engineering and Physical Sciences Research Council (EPSRC)
DOI : 10.1021/acs.jpcc.8b00186
Copyright Disclaimer : Copyright © 2018 American Chemical Society
Depositing User : Clive Harris
Date Deposited : 22 Mar 2018 16:18
Last Modified : 07 Nov 2019 10:02

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