Issue 43, 2011
From the journal:

Physical Chemistry Chemical Physics

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

Markus Reinmöller,a   Angela Ulbrich,a   Tomonori Ikari,b   Julia Preiß,a   Oliver Höfft,c   Frank Endres,c   Stefan Krischoka  and  Wichard J. D. Beenken*a  

* Corresponding authors

a Institute of Physics and Institute of Micro- and Nanotechnologies, Ilmenau University of Technology, P.O. Box 100 565, 98684 Ilmenau, Germany
E-mail: wichard.beenken@tu-ilmenau.de

b Department of Electrical Engineering, Ube National College of Technology, 2-14-1 Tokiwadai, Ube, Yamaguchi 755-8555, Japan

c Institute of Particle Technology, Clausthal University of Technology, Arnold-Sommerfeld-Str. 6, D-38678 Clausthal-Zellerfeld, Germany

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 ([Tf2N]−) 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.

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

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Article information

DOI
https://doi.org/10.1039/C1CP22152C
Article type
Paper
Submitted
30 Jun 2011
Accepted
08 Sep 2011
First published
04 Oct 2011

Phys. Chem. Chem. Phys., 2011,13, 19526-19533

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

M. Reinmöller, A. Ulbrich, T. Ikari, J. Preiß, O. Höfft, F. Endres, S. Krischok and W. J. D. Beenken, Phys. Chem. Chem. Phys., 2011, 13, 19526 DOI: 10.1039/C1CP22152C

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