from first principles PP-I-1

OP-III-16Scorpionate Gold Complexes Anchored on Nano-Size Magnetic Silica asHybrid Catalysts for Oxyfunctionalization of HydrocarbonsMachado K., Tavares P.B., Mishra G.S.Department of Chemistry, University of Trás-os Montes and Alto Douro (UTAD),Vila Real 5001 801, Portugalmishrags@utad.ptOxyfunctionalization of hydrocarbons (linear alkanes) into valuable product products, e.g.alcohols, ketones and acids, catalyzed by supported metal complex, is a topic of a high currentinterest [1-3]. The use of dioxygen is also preferred from the environmental point of view. Inthe current context, the presented here scorpionate tris(1-pyrazolyl)ethanol gold complexes[Au{HOCH 2 C(pz) 3 }] (I) and [AuCl 2 {HOCH 2 C(pz) 3 }] (II) have been synthesized and wellcharacterized. These complexes were covalently bond to the surface of modified nano-sizemagnetic silica. These catalysts showed high catalytic efficiency in the selective oxidation ofn-pentane and n-hexane with dioxygen (O 2 ) in batch reactor. Supported catalyst II exhibitedhigh TONs (ca. 28 ×10 3 to 32×10 3 ) and best overall yield for bothn-pentane and n-hexane as well as high product selectivity under optimized conditions.Radical traps impact and detection of intermediate peroxy radical were also investigated toestablish a radical mechanism.References:[1] G.S. Mishra, T.F.S. Silva, M.F.G. da Silva, R. Wanke, L.M.D.R.S. Martins, A.J.L. Pombeiro,Dalton Transactions, (2009) 9207 - 9215.[2] G.S. Mishra, A. Kumar, P.B. Tavares, J. Mol. Catal. A: Chem., 357 (2012) 125 - 132.[3] C. Pettinari, Scorpionates II: Chelating Borate Ligands, Imperial College Press, World ScientificPub. 2008.59