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Quantitative local structure determination of R,R-tartaric acid on Cu(110) : Monotartrate and bitartrate phases
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Duncan, David A., Unterberger, W. (Werner), Jackson, Daryl C., Knight, M. J., Kröger, E. A., Hogan, K. A., Lamont, Christine L. A., Lerotholi, T. J. and Woodruff, D. P. (2012) Quantitative local structure determination of R,R-tartaric acid on Cu(110) : Monotartrate and bitartrate phases. Surface Science, Vol.606 . pp. 1435-1442. doi:10.1016/j.susc.2012.05.011 ISSN 0039-6028.
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WRAP_Woodruff_tartrates_PhD_preprint.pdf - Accepted Version Download (1076Kb) | Preview |
Official URL: http://dx.doi.org/10.1016/j.susc.2012.05.011
Abstract
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 bondlengths of 1.92±0.08Å and 1.93±0.06Å; 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 bondlengths of 1.93±0.08Å and 1.95±0.08Å, while the planes of the carboxylate groups are tilted by 38±6° from the surface normal.
| Item Type: | Journal Article | ||||
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| Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||
| Library of Congress Subject Headings (LCSH): | Chemisorption, Chirality, Photoelectron spectroscopy, Tartaric acid -- Absorption and adsorption, Copper, Photoemission | ||||
| Journal or Publication Title: | Surface Science | ||||
| Publisher: | Elsevier BV * North-Holland BV | ||||
| ISSN: | 0039-6028 | ||||
| Official Date: | 2012 | ||||
| Dates: |
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| Volume: | Vol.606 | ||||
| Page Range: | pp. 1435-1442 | ||||
| DOI: | 10.1016/j.susc.2012.05.011 | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published | ||||
| Access rights to Published version: | Restricted or Subscription Access | ||||
| Copyright Holders: | Elsevier | ||||
| Date of first compliant deposit: | 24 December 2015 | ||||
| Date of first compliant Open Access: | 24 December 2015 | ||||
| Funder: | Engineering and Physical Sciences Research Council (EPSRC) |
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