Allegretti, F., Polcik, M. and Woodruff, D. P. (2007) Quantitative determination of the local structure of thymine on Cu(1 1 0) using scanned-energy mode photoelectron diffraction. Surface Science, Vol.601 (No.17). pp. 3611-3622. doi:10.1016/j.susc.2007.07.006 ISSN 0039-6028.

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Abstract

The local adsorption structures of the surface species formed by interaction of thymine with a Cu(1 1 0) surface at room temperature, and after heating to not, vert, similar530 K, have been investigated. Initial characterisation by soft-X-ray photoelectron spectroscopy and O K-edge near-edge X-ray absorption fine structure (NEXAFS) indicates the effect of sequential dehydrogenation of the NH species and provides information on the molecular orientation. O 1s and N 1s scanned-energy mode photoelectron diffraction shows the species at both temperatures bond to the surface through both carbonyl O atoms and the deprotonated N atom between them, each bonding atom adopting near-atop sites on the outermost Cu surface layer. The associated bondlengths are 1.96 ± 0.03 Å for Cu–N and 1.91 ± 0.03 Å and 2.03 ± 0.03 Å for the two inequivalent Cu--O bonds. The molecular plane lies almost exactly in the close-packed View the MathML source azimuth, but with a tilt relative to the surface normal of approximately 20°. Heating to not, vert, similar530 K, or deposition at this temperature, appears to lead to dehydrogenation of the second N atom in the ring, but no significant change in the adsorption geometry.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Divisions:	Faculty of Science, Engineering and Medicine > Science > Physics
Library of Congress Subject Headings (LCSH):	Chemisorption -- Research, Photoelectron spectroscopy, Surfaces (Physics) -- Research, X-ray absorption near edge structure
Journal or Publication Title:	Surface Science
Publisher:	Elsevier BV
ISSN:	0039-6028
Official Date:	September 2007
Dates:	Date Event September 2007 Published
Volume:	Vol.601
Number:	No.17
Page Range:	pp. 3611-3622
DOI:	10.1016/j.susc.2007.07.006
Status:	Peer Reviewed
Access rights to Published version:	Open Access (Creative Commons)
Funder:	Engineering and Physical Sciences Research Council (EPSRC)

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