UNSPECIFIED (2000) Structure determination of ammonia on Cu(111). JOURNAL OF PHYSICAL CHEMISTRY B, 104 (14). pp. 3044-3049. ISSN 1089-5647

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Abstract

The local structure of ammonia adsorbed on Cu(lll) has been determined using N Is scanned-energy-mode photoelectron diffraction. The molecule is found to occupy an atop bonding site with a Cu-N bond length of 2.09 +/- 0.03 Angstrom, but with large amplitude vibrations of the molecule parallel to the surface, consistent with a systematic trend found in our studies of species adsorbed in atop sites. We find no evidence for a significant static offset of the molecule from the atop site (which was found on the lower-symmetry Cu(110) surface), but a small offset of this kind cannot be distinguished from the effects of the large dynamic displacement. As a first test for this photoelectron diffraction technique we have also investigated the effect of including the weakly scattering H atoms in the analysis. This does lead to preferred sites for the H atoms consistent with expectations, but their precision of location is too poor to provide information of chemical significance.

Item Type:	Journal Article
Subjects:	Q Science > QD Chemistry
Journal or Publication Title:	JOURNAL OF PHYSICAL CHEMISTRY B
Publisher:	AMER CHEMICAL SOC
ISSN:	1089-5647
Date:	13 April 2000
Volume:	104
Number:	14
Number of Pages:	6
Page Range:	pp. 3044-3049
Publication Status:	Published
URI:	http://wrap.warwick.ac.uk/id/eprint/13438

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