Theoretical study of the adsorption of benzene on coinage metals

• Werner Reckien,
• Melanie Eggers and
• Thomas Bredow

Beilstein J. Org. Chem. 2014, 10, 1775–1784, doi:10.3762/bjoc.10.185

• Werner Reckien Melanie Eggers Thomas Bredow Mulliken Center for Theoretical Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn, Beringstr. 4, 53115 Bonn, Germany 10.3762/bjoc.10.185 Abstract The adsorption of benzene on the M(111), M(100) and M(110) surfaces of the coinage metals copper (M

• experiment in most cases. Vertical adsorbate–substrate distances are calculated and compared to previous theoretical results. The observed trends for the surfaces and metals are consistent with the calculated adsorption energies. Keywords: adsorption; benzene; coinage metals; density functional theory

• crucial role for the adsorption of large aromatic compounds on metal surfaces [9][10][11]. This holds in particular for the adsorption on the coinage metals copper, silver and gold. Therefore, a theoretical treatment of this process requires methods that provide an accurate description of these weak

Silver and gold-catalyzed multicomponent reactions

• Giorgio Abbiati and
• Elisabetta Rossi

Beilstein J. Org. Chem. 2014, 10, 481–513, doi:10.3762/bjoc.10.46

• multicomponent reactions. Keywords: A3-coupling; gold; multicomponent reactions; silver; Introduction Coinage metals (copper, silver and gold) are extensively used in the homogenous catalysis of organic reactions. Similarities and differences in the catalytic activity of these elements have been recently

Gold(I)-catalyzed formation of furans from γ-acyloxyalkynyl ketones

• Marie Hoffmann,
• Solène Miaskiewicz,
• Jean-Marc Weibel,
• Patrick Pale and
• Aurélien Blanc

Beilstein J. Org. Chem. 2013, 9, 1774–1780, doi:10.3762/bjoc.9.206

• evidenced by tiny amounts of 3 in the NMR spectrum of the crude (Table 1, entry 7). Control experiments revealed that other triflimide salts of coinage metals were not suited for this transformation. Indeed, silver(I) triflimide resulted mainly in degradation (Table 1, entry 8) and tetrakis(acetonitrile