The Library
Uracil on Cu(110) : a quantitative structure determination by energy-scanned photoelectron diffraction
Tools
Duncan, David A., Unterberger, W. (Werner), Kreikemeyer-Lorenzo, D. and Woodruff, D. P. (2011) Uracil on Cu(110) : a quantitative structure determination by energy-scanned photoelectron diffraction. The Journal of Chemical Physics, Vol.135 (No.1). 014704. doi:10.1063/1.3607246 ISSN 0021-9606.
|
PDF
WRAP_Woodruff_190112-cu110uracil_phd_preprint.pdf - Accepted Version - Requires a PDF viewer. Download (649Kb) |
Official URL: http://dx.doi.org/10.1063/1.3607246
Abstract
The local adsorption site of the nucleobase uracil on Cu(110) has been determined quantitatively by energy-scanned photoelectron diffraction (PhD). Qualitative inspection of the O 1s and N 1s soft x-ray photoelectron spectra, PhD modulation spectra, and O K-edge near-edge x-ray adsorption fine structure indicate that uracil bonds to the surface through its nitrogen and oxygen constituent atoms, each in near atop sites, with the molecular plane essentially perpendicular to surface and aligned along the close packed [1 (1) over bar0] azimuth. Multiple scattering simulations of the PhD spectra confirm and refine this geometry. The Cu-N bondlength is 1.96 +/- 0.04 angstrom, while the Cu-O bondlengths of the two inequivalent O atoms are 1.93 +/- 0.04 angstrom and 1.96 +/- 0.04 angstrom, respectively. The molecule is twisted out of the [1 (1) over bar0] direction by 11 +/- 5 degrees.
Item Type: | Journal Article | ||||
---|---|---|---|---|---|
Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||
Library of Congress Subject Headings (LCSH): | Uracil -- Absorption and adsorption, Copper -- Absorption and adsorption, Copper -- Surfaces | ||||
Journal or Publication Title: | The Journal of Chemical Physics | ||||
Publisher: | American Institute of Physics | ||||
ISSN: | 0021-9606 | ||||
Official Date: | 7 July 2011 | ||||
Dates: |
|
||||
Volume: | Vol.135 | ||||
Number: | No.1 | ||||
Page Range: | 014704 | ||||
DOI: | 10.1063/1.3607246 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access | ||||
Date of first compliant deposit: | 18 December 2015 | ||||
Date of first compliant Open Access: | 18 December 2015 | ||||
Funder: | Engineering and Physical Sciences Research Council (EPSRC), Science Research Investment Fund (SRIF) |
Data sourced from Thomson Reuters' Web of Knowledge
Request changes or add full text files to a record
Repository staff actions (login required)
View Item |
Downloads
Downloads per month over past year