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

Nicklin, Richard E.J. ; Shavorskiy, Andrey LU ; Aksoy Akgul, Funda ; Liu, Zhi ; Bennett, Roger A. ; Sacchi, Marco and Held, Georg (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
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organization
publishing date
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
2021-10-06 03:07:48
@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},
}