Structure of Cytosine on Cu(110): a Scanned-Energy Mode Photoelectron Diffraction Study
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- 作者：D. C. Jackson ; D. A. Duncan ; W. Unterberger ; T. J. Lerotholi ; D. Kreikemeyer Lorenzo ; M. K. Bradley ; D. P. Woodruff
- 刊名：Journal of Physical Chemistry C
- 出版年：2010
- 出版时间：September 16, 2010
- 年：2010
- 卷：114
- 期：36
- 页码：15454-15463
- 全文大小：389K
- 年卷期：v.114,no.36(September 16, 2010)
- ISSN：1932-7455
文摘
The local adsorption structure formed by the interaction of cytosine with a Cu(110) surface, following adsorption at 300 K and annealing to 420 K, has been investigated by O 1s and N 1s scanned-energy mode photoelectron diffraction (PhD). Initial characterization by soft-X-ray photoelectron spectroscopy and O K-edge near-edge X-ray absorption fine structure (NEXAFS) indicates that chemisorption leads to dehydrogenation of the NH species in the molecular ring and indicates that the molecular plane is perpendicular to the surface and close to the [10] azimuth. The PhD results confirm this orientation and show that the molecule bonds to the surface through the deprotonated N atom and the O atom, both of which occupy off-atop sites. The associated Cu−N and Cu−O bondlengths are 1.94(+0.07/−0.03) Å and 1.94(+0.06/−0.04) Å, respectively. Density functional theory calculations provide further support for this local structure and provide information on the possible role of intermolecular interaction. Possible structural models accounting for previously observed long-range ordered phases with glide symmetry are discussed in the light of these results.