N-Heterocyclic carbenes on close-packed coinage metal surfaces: bis-carbene metal adatom bonding scheme of monolayer films on Au, Ag and Cu

被引：108

作者：

Jiang, Li ^{[1
]}

Zhang, Bodong ^{[1
]}

Medard, Guillaume ^{[2
]}

Seitsonen, Ari Paavo ^{[3
]}

Haag, Felix ^{[1
]}

Allegretti, Francesco ^{[1
]}

Reichert, Joachim ^{[1
]}

Kuster, Bernhard ^{[2
]}

Barth, Johannes V. ^{[1
]}

Papageorgiou, Anthoula C. ^{[1
]}

机构：

[1] Tech Univ Munich, Chair Mole Nanosci & Chem Phys Interfaces E20, Dept Phys, D-85748 Garching, Germany

[2] Tech Univ Munich, Chair Prote & Bioanalyt, Emil Erlenmeyer Forum 5, D-85354 Freising Weihenstephan, Germany

[3] Ecole Normale Super, Dept Chim, F-75230 Paris 05, France

来源：

CHEMICAL SCIENCE | 2017年 / 8卷 / 12期

基金：

欧洲研究理事会;

关键词：

AU(111) SURFACE; COORDINATION POLYMERS; GOLD; COMPLEXES; REACTIVITY; LIGANDS; AG(111); ACTIVATION; ADSORPTION; PORPHYRINS;

D O I：

10.1039/c7sc03777e

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

By means of scanning tunnelling microscopy (STM), complementary density functional theory (DFT) and X-ray photoelectron spectroscopy (XPS) we investigate the binding and self-assembly of a saturated molecular layer of model N-heterocyclic carbene (NHC) on Cu(111), Ag(111) and Au(111) surfaces under ultra-high vacuum (UHV) conditions. XPS reveals that at room temperature, coverages up to a monolayer exist, with the molecules engaged in metal carbene bonds. On all three surfaces, we resolve similar arrangements, which can be interpreted only in terms of mononuclear M(NHC)(2) (M = Cu, Ag, Au) complexes, reminiscent of the paired bonding of thiols to surface gold adatoms. Theoretical investigations for the case of Au unravel the charge distribution of a Au(111) surface covered by Au(NHC) (2) and reveal that this is the energetically preferential adsorption configuration.

引用

页码：8301 / 8308

页数：8

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