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. 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 > 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
Date:	September 2007
Volume:	Vol.601
Number:	No.17
Page Range:	pp. 3611-3622
Identification Number:	10.1016/j.susc.2007.07.006
Status:	Peer Reviewed
Access rights to Published version:	Open Access
Funder:	Engineering and Physical Sciences Research Council (EPSRC)
References:	1 C. Hamai, H. Tanaka, T. Kawai, J. Phys. Chem. B 104 (2000) 9894 2 H. Tanaka, T. Kawai, Surf. Sci. 539 (2003) L531 3 D.P.Woodruff and A.M.Bradshaw Rep.Prog.Phys. 57 (1994) 1029 4 D. P. Woodruff, Surf. Sci. Rep. 62 (2007) 1 5 N.A.Booth, D.P.Woodruff, O.Schaff, T.Gieβel, R.Lindsay, P.Baumgartel and A.M.Bradshaw Surf.Sci. 397 (1998) 258 6 J.-H. Kang, R. L. Toomes, M. Polcik, M. Kittel, J.-T Hoeft, V. Efstathiou, D. P. Woodruff and A. M. Bradshaw, J.Chem.Phys. 118 (2003) 6059 7 D.I. Sayago, M. Polcik, G. Nisbet, C.L.A. Lamont and D.P. Woodruff, Surf. Sci. 590 (2005) 76 8 M Furukawa, H. Fujisawa, S. Katano, H. Ogasawara, Y. Kim, T. Komeda, A. Nilsson, M. Kawai, Surf. Sci. 532-535 (2003) 261 9 A. McNutt, PhD thesis, University of Liverpool, 2002 10 T. Yamada, K. Shirasaka, A. Takano, M. Kawai, Surf. Sci. 561 (2004) 233 11 A. McNutt, S. Haq, R. Raval, Surf. Sci. 502-503 (2002) 185 12 M. L. M. Rocco, R. Dudde, K. –H. Frank, E. –E. Koch, Chem. Phys. Lett. 160 (1989) 366 13 W. Haiss, B. Roelfs, S. N. Port, E. Bunge, H. Baumgärtel, R. J. Nichols, J. Electroanal. Chem. 454 (1998) 107 14 W. –H. Li, W. Haiss, S. Floate, R. J. Nichols, Langmuir 15 (1999) 4875 15 K. J. S. Sawhney, F. Senf, M. Scheer, F. Schäfers, J. Bahrdt, A. Gaupp, W. Gudat, Nucl. Instrum. Methods A 390 (1997) 395 16 J. C. Fuggle, N. Mårtensson, J. Electr. Spectrosc. Rel. Phenom. 21 (1980) 275 17 B.V. Christ, Handbook of Monochromatic XPS Spectra (XPS International, Inc., 1999) 18 K. Fujii, K. Akamatsu, A. Yokota, J. Phys. Chem. B 108 (2004) 8031 19 S. Söhnchen, S. Lukas, G. Witte, J. Chem. Phys. 121 (2004) 525 20 J. Stöhr and R. Jaeger, Phys. Rev. B 26 (1982) 4111 21 V. Fritzsche, J. Phys.: Condens. Matter 2 (1990) 1413 22 V. Fritzsche, Surf. Sci. 265 (1992) 187 23 V. Fritzsche, Surf. Sci. 213 (1989) 648 24 J. B. Pendry, J. Phys.C: Solid State Phys. 13 (1980) 937 25 N. A. Booth, R. Davis, R. Toomes, D. P. Woodruff, C. Hirschmugl, K.-M. Schindler, O. Schaff, V. Fernandez, A. Theobald, Ph. Hofmann, R. Lindsay, T. Giessel, P. Baumgärtel, A. M. Bradshaw, Surf. Sci. 387 (1997) 152 26 http://ndbserver.rutgers.edu/archives/proj/valence/bases4.html 27 T.Gieβel, O.Schaff, R.Lindsay, R.Terborg, P.Baumgärtel, J.T.Hoeft, M.Polcik, A.M.Bradshaw, A.Koebbel, D.R.Lloyd and D.P.Woodruff, J.Chem.Phys. 110 (1999) 9666 28 R.Terborg, M.Polcik, J-T.Hoeft, M.Kittel, M.Pascal, J.H.Kang, C.Lamont, A.M.Bradshawand D.P.Woodruff, Surf.Sci. 457 (2000) 1 29 K-U.Weiss, R.Dippel, K-M.Schindler, P.Gardner, V.Fritzsche, A.M.Bradshaw, A.L.D.Kilcoyne and D.P.Woodruff Phys.Rev.Lett. 69 (1992) 3196 30 M. Pascal, C.L.A. Lamont, M. Kittel, J.T. Hoeft, R. Terborg, M. Polcik, J.H. Kang, R.Toomes and D.P. Woodruff, Surf. Sci. 492 (2001) 285 31 T.Gieβel, O.Schaff, R.Lindsay, R.Terborg, P.Baumgartel, J.T.Hoeft, M.Polcik, A.M.Bradshaw, A.Koebbel, D.R.Lloyd and D.P.Woodruff, J. Chem. Phys. 110 (1999) 9666 32 R.Terborg, M.Polcik, J-T.Hoeft, M.Kittel, M.Pascal, J.H.Kang, C.Lamont, A.M.Bradshawand D.P.Woodruff, Surf. Sci. 457 (2000) 1
URI:	http://wrap.warwick.ac.uk/id/eprint/3053

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