"pop-On and Pop-Off" Surface Chemistry of Alanine on Ni{111} under Elevated Hydrogen Pressures
(2018) In Journal of Physical Chemistry C 122(14). p.7720-7730- Abstract
The 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... (More)
The 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.
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- author
- Nicklin, Richard E.J. ; Shavorskiy, Andrey LU ; Aksoy Akgul, Funda ; Liu, Zhi ; Bennett, Roger A. ; Sacchi, Marco and Held, Georg
- organization
- publishing date
- 2018-04-12
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Physical Chemistry C
- volume
- 122
- issue
- 14
- pages
- 11 pages
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- scopus:85045389368
- ISSN
- 1932-7447
- DOI
- 10.1021/acs.jpcc.8b00186
- language
- English
- LU publication?
- yes
- id
- 8a49d15b-688b-46fc-8f72-54176eb4365e
- date added to LUP
- 2018-04-26 15:51:05
- date last changed
- 2022-04-02 00:00:53
@article{8a49d15b-688b-46fc-8f72-54176eb4365e,
abstract = {{<p>The 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.</p>}},
author = {{Nicklin, Richard E.J. and Shavorskiy, Andrey and Aksoy Akgul, Funda and Liu, Zhi and Bennett, Roger A. and Sacchi, Marco and Held, Georg}},
issn = {{1932-7447}},
language = {{eng}},
month = {{04}},
number = {{14}},
pages = {{7720--7730}},
publisher = {{The American Chemical Society (ACS)}},
series = {{Journal of Physical Chemistry C}},
title = {{"pop-On and Pop-Off" Surface Chemistry of Alanine on Ni{111} under Elevated Hydrogen Pressures}},
url = {{http://dx.doi.org/10.1021/acs.jpcc.8b00186}},
doi = {{10.1021/acs.jpcc.8b00186}},
volume = {{122}},
year = {{2018}},
}