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Updated: Mar 31, 2026

Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
Published on: October 18, 2019
Opening the way to molecular cycloaddition of large molecules on supported silicene
Régis Stephan1, Marie-Christine Hanf1, Philippe Sonnet1
1Institut de Science des Matériaux de Mulhouse IS2M UMR 7361 CNRS-Université de Haute Alsace, 3 bis rue Alfred Werner, 68057 Mulhouse, France.
Abstract:
Within density functional theory, the adsorption of the H2Pc molecule on the (3 × 3) silicene/(4 × 4) Ag(111) surface has been investigated. We observe an electronic redistribution in the central macrocycle of the H2Pc molecule and the formation of two Si - N covalent bonds between the molecule and the silicene, in agreement with a cycloaddition reaction. However, while on SiC(0001)(3 × 3) or Si(111)(√3×√3)R30°-boron, the H2Pc molecule remains planar, and the H2Pc molecule takes a butterfly conformation on the silicene/Ag substrate due to an electrostatic or a polarization repulsion between the molecule and the silicene. Our study opens a way to the experimental adsorption of large organic molecules on supported silicene.
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