Kreikemeyer-Lorenzo, D., Unterberger, W. (Werner), Duncan, David A., Lerotholi, T. J. and Woodruff, D. P. (2013) The local structure of the azobenzene/aniline reaction intermediate on TiO2(110). Surface Science, Volume 613 . pp. 40-47. doi:10.1016/j.susc.2013.03.009 ISSN 0039-6028.

Preview

PDF WRAP_Woodruff_Local_structure.pdf - Accepted Version - Requires a PDF viewer. Download (3880Kb) | Preview

Request Changes to record.

Abstract

Scanned-energy mode photoelectron diffraction (PhD) and near-edge X-ray absorption fine structure (NEXAFS) have been used to study the surface species, previously proposed to be phenyl imide, C6H5N–, on rutile TiO2(110) following exposure to either azobenzene or aniline. All measurements are consistent with the two reactants forming a common surface species in the same local adsorption site. N K-edge NEXAFS confirms the scission of the Ndouble bond; length as m-dashN bond in azobenzene, while C K-edge NEXAFS shows the phenyl ring to be intact with the molecular plane tilted relative to the surface normal and not aligned in either principle azimuth of the surface. N 1s PhD data indicate that the N atom bonds atop a surface five-fold-coordinated Ti atom, most probably at a Tisingle bondN bondlength of 1.77 ± 0.05 Å, and not bridging two such atoms, as had been suggested. This atop geometry is favoured by recent density functional theory (DFT) calculations, but more quantitative aspects of the DFT result are not in agreement with the conclusions of our experimental study.

Item Type:	Journal Article
Subjects:	Q Science > QD Chemistry
Divisions:	Faculty of Science, Engineering and Medicine > Science > Physics
Library of Congress Subject Headings (LCSH):	Absorption spectra, Titanium dioxide, Azo compounds, Aniline
Journal or Publication Title:	Surface Science
Publisher:	Elsevier BV
ISSN:	0039-6028
Official Date:	July 2013
Dates:	Date Event July 2013 Published 21 March 2013 Available 5 March 2013 Accepted 9 November 2012 Submitted
Volume:	Volume 613
Page Range:	pp. 40-47
DOI:	10.1016/j.susc.2013.03.009
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Date of first compliant deposit:	25 December 2015
Date of first compliant Open Access:	25 December 2015
Funder:	Engineering and Physical Sciences Research Council (EPSRC), Deutsche Forschungsgemeinschaft (DFG)

Request changes or add full text files to a record

Repository staff actions (login required)

View Item

Downloads