Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2011 Nov 21;13(43):19526-33.
doi: 10.1039/c1cp22152c. Epub 2011 Oct 4.

Theoretical reconstruction and elementwise analysis of photoelectron spectra for imidazolium-based ionic liquids

Markus Reinmöller  1 , Angela Ulbrich, Tomonori Ikari, Julia Preiss, Oliver Höfft, Frank Endres, Stefan Krischok, Wichard J D Beenken
Affiliations

Theoretical reconstruction and elementwise analysis of photoelectron spectra for imidazolium-based ionic liquids

Markus Reinmöller et al. Phys Chem Chem Phys. .

Abstract

We have recently measured core level and valence band XPS, UPS, and MIES spectra of two room temperature ionic liquids composed of bis(trifluoromethylsulfonyl)imide anions ([Tf(2)N](-)) and either 1-ethyl-3-methyl-imidazolium ([EMIm](+)) or 1-octyl-3-methyl-imidazolium cations ([OMIm](+)). [T. Ikari, A. Keppler, M. Reinmöller, W. J. D. Beenken, S. Krischok, M. Marschewski, W. Maus-Friedrichs, O. Höfft and F. Endres, e-J. Surf. Sci. Nanotechnol., 2010, 8, 241.] In the present work we analyze these spectra by means of partial density of states (pDOS) as calculated from a single ion pair of the respective ionic liquid using density functional theory (DFT). Subsequently we reconstruct the XPS and UPS spectra by considering photoemission cross sections and analyze the MIES spectra by pDOS, which provides us decisive hints to the ionic liquid surface structure.

PubMed Disclaimer

LinkOut - more resources