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

被引：7

作者：

Duncan, D. A. ^{[1
]}

Unterberger, W. ^{[2
]}

Jackson, D. C. ^{[1
]}

Knight, M. K. ^{[1
]}

Kroeger, E. A. ^{[2
]}

Hogan, K. A. ^{[3
]}

Lamont, C. L. A. ^{[3
]}

Lerotholi, T. J. ^{[1
,4
]}

Woodruff, D. P. ^{[1
]}

机构：

[1] Univ Warwick, Coventry CV4 7AL, W Midlands, England

[2] Fritz Haber Inst MPG, D-14195 Berlin, Germany

[3] Univ Huddersfield, Huddersfield HD1 3DH, W Yorkshire, England

[4] Univ Witwatersrand, ZA-2050 Johannesburg, South Africa

来源：

SURFACE SCIENCE | 2012年 / 606卷 / 17-18期

基金：

英国工程与自然科学研究理事会;

关键词：

Chemisorption; Chirality; Surface structure; Photoelectron diffraction; Copper; Tartaric acid; ADSORBATE STRUCTURE DETERMINATION; PHOTOELECTRON DIFFRACTION; TARTARIC ACID; CHIRAL DOMAINS; ADSORPTION; SURFACE; CU(100); GLYCINE; ALANINE;

D O I：

10.1016/j.susc.2012.05.011

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 angstrom and 1.93 +/- 0.06 angstrom; the plane of the carboxylate group is tilted by 17 +/- 6 degrees 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 angstrom and 1.95 +/- 0.08 angstrom. while the planes of the carboxylate groups are tilted by 38 +/- 6 degrees from the surface normal. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：1435 / 1442

页数：8

共 34 条

[1] Stability of chiral domains produced by adsorption of tartaric acid isomers on the Cu(110) surface: A periodic density functional theory study [J].