The use of supported catalysis is increasingly widespread in chemistry because of its specificity compared to the heterogeneous and homogeneous catalysis. Grafting catalysts on a surface leads to heterogeneous catalysts with well-defined active sites. However, it is hard to address experimentally the grafting mode of the catalyst complex. Theoretical methods can be used in order to give some insights into this problem. In a first part of this talk, we will define the most pertinent model of the surface exhibiting different silanol groups1. The silanol groups, which come from the deshydroxylation reaction of the silica surface, are very reactive and will be involved in interactions and chemical reactions at the silica surface. The nature of the thermic treatment of the silica (300 or 750�C) will be considered in the modelling and different models will be proposed. Then we will consider different grafting modes of the lanthanide complexes on the surface, and give some reactivity results on the polymerization of e-caprolactone2 and MMA3. 1I. del Rosal, I. C. Gerber, R. Poteau and L. Maron, J. Phys. Chem. A, 114 : 6322�6330, 2010.2a) I. del Rosal, R. Poteau, and L. Maron, Dalton Trans., 40 : 11211�11227, 2011 ; b) I. del Rosal, R. Poteau, and L. Maron, Dalton Trans., 40 : 11228�11240, 2011.3I. del Rosal, M. Tschan, R. M. Gauvin, L. Maron and C. M. Thomas, Polym. Chem., DOI :  10.1039/C2PY00472K.

Supported lanthanide complex on silica surface: Grafting mode and reactivity

245th National Meeting (2013)

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