Orientation and interaction changes as a function of layer thickness: a NEXAFS study of 2-mercaptobenzoxazole on Pt(111)

被引：11

作者：

Contini, G

Carravetta, V

Parent, P

Laffon, C

Polzonetti, G

机构：

[1] CNR, Inst Mineral Proc, I-00138 Rome, Italy

[2] CNR, Ist Chim Quantist & Energet Mol, I-56100 Pisa, Italy

[3] CNRS, Utilisat Rayonnement Electromagnet Lab, F-91405 Orsay, France

[4] Univ Roma Tre, Dept Phys E Amaldi, I-00146 Rome, Italy

来源：

SURFACE SCIENCE | 2000年 / 457卷 / 1-2期

关键词：

ab initio quantum chemical methods and calculations; chemisorption; low index single crystal surfaces; near edge extended X-ray absorption fine structure (NEXAFS); platinum;

D O I：

10.1016/S0039-6028(00)00342-3

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：

Near edge X-ray absorption fine structure (NEXAFS) spectra of 2-mercaptobenzoxazole adsorbed on the Pt(111) surface have been investigated for different layer thicknesses at 95 K. By comparison of the NEXAFS C K-edge spectra for multilayer, three layer and monolayer and with the support of ab-initio static-exchange calculations, the change of molecular orientation vs. layer thickness is discussed, and a possible adsorption mechanism for MBO on Pt(111) is proposed. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：109 / 120

页数：12

共 14 条

[1] DIRECT, ATOMIC ORBITAL, STATIC EXCHANGE CALCULATIONS OF PHOTOABSORPTION SPECTRA OF LARGE MOLECULES AND CLUSTERS [J].