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  Quantitative local structure determination of R,R-tartaric acid on Cu(110): Monotartrate and bitartrate phases

Duncan, D. A., Unterberger, W., Jackson, D. C., Knight, M. K., Kroeger, E. A., Hogan, K. A., et al. (2012). Quantitative local structure determination of R,R-tartaric acid on Cu(110): Monotartrate and bitartrate phases. Surface science, 606(17-18), 1435-1442. doi:10.1016/j.susc.2012.05.011.

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Duncan, D. A.1, Autor
Unterberger, Werner2, Autor           
Jackson, D. C.1, Autor
Knight, M. K.1, Autor
Kroeger, Emily Alice2, Autor           
Hogan, K. A.3, Autor
Lamont, C. L. A.3, Autor
Lerotholia, T. J.1, 4, Autor
Woodruff, David Phillip1, Autor
Affiliations:
1Physics Department, University of Warwick, Coventry, CV4 7AL, United Kingdom, ou_persistent22              
2Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              
3University of Huddersfield, Queensgate, Huddersfield, HD1 3DH, UK, ou_persistent22              
4University of Witwatersrand, PO Wits, Johannesburg, 2050, South Africa, ou_persistent22              

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Schlagwörter: Chemisorption; Chirality; Surface structure; Photoelectron diffraction; Copper; Tartaric acid
 Zusammenfassung: The local adsorption site of the monotartrate and bitartrate species of R,R-tartaric acid deposited on Cu(110) have been determined by scanned-energy mode photoelectron diffraction (PhD). In the monotartrate phase the molecule is found to adsorb upright through the O atoms of the single deprotonated carboxylic acid (carboxylate) group, which are located in different off-atop sites with associated Cu―O bond lengths of 1.92 ± 0.08 Å and 1.93 ± 0.06 Å; the plane of the carboxylate group is tilted by 17 ± 6° off the surface normal. The bitartrate species adopts a ‘lying down’ orientation, bonding to the surface through all four O atoms of the two carboxylate groups, also in off-atop sites. Three slightly different models give comparably good fits to the PhD data, but only one of these is similar to that predicted by earlier density functional theory calculations. This model is found to have Cu―O bond lengths of 1.93 ± 0.08 Å and 1.95 ± 0.08 Å, while the planes of the carboxylate groups are tilted by 38 ± 6° from the surface normal.

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Sprache(n): eng - English
 Datum: 2012-03-302012-05-152012-05-232012-09
 Publikationsstatus: Erschienen
 Seiten: 8
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1016/j.susc.2012.05.011
 Art des Abschluß: -

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Titel: Surface science
  Kurztitel : Surf. Sci.
Genre der Quelle: Zeitschrift
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Affiliations:
Ort, Verlag, Ausgabe: Amsterdam : Elsevier
Seiten: - Band / Heft: 606 (17-18) Artikelnummer: - Start- / Endseite: 1435 - 1442 Identifikator: Anderer: 0039-6028
CoNE: https://pure.mpg.de/cone/journals/resource/0039-6028