from first principles PP-I-1

PP-III-31Variation of Surface and Texture Nanodiamond Properties to CreateEffective Hydrodechlorination CatalystGolubina E. 1 , Erokhin A. 1 , Klezhina N. 1 , Lokteva E. 1 , Kharlanov A. 1 , Petrov I. 2 , Lunin V. 11 Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russia2 LLC “SCN”, Snezhinsk, Russiagolubina@kge.msu.ruSince the most part of industrially important reactions are catalytic, directed synthesis ofcatalysts with desired properties is of great importance. In present time for many reactions thestructure of active site is known but the problem of its synthesis still exists. The developmentof new catalysts and revelation of general approaches to catalysts design are discussed in thepresent work. All studied approaches are based on chemical or electronic interaction of metalnanoparticles with support or second metal and directed on formation of M(0)/M(+) pair toachieve desired catalytic properties. Nanodiamond (ND) could be successfully used incatalysts design due to unique properties.Several types of NDs with different set of surface functional groups and porous structure wereinvestigated. Metal (Ni or Pd, 0.5-5 wt.%) was supported by wet impregnation or equilibriumelectrostatic adsorption. Combined FTIR-ATR and dzeta-potential measurements for pristineND and ND supported metals revealed that metal precursor coordination is strongly definedby the nature of surface functional groups. Carboxylic O-containing groups of negativelycharged ND participate in coordination with M 2+ that results in large metallic particles.Positive surface charge is provided by cyclic anhydride –C(O)–O–C(O)– and N-containinggroups which favour formation of M(δ+) and small M(0) particles.Therefore, catalytic properties are strongly affected by the type of nanodiamond used assupport. Pd or Ni supported on mesoporous ND with positive surface charge was found to bethe most active in gas and multiphase hydrodechlorination of chlorinated benzenes.Pd-containing catalyst was successfully used for hydrodechlorination of chlorobenzene,1,3,5-trichlorobenzene; p-chloroacetophenone; 2,4,8-trichlorodibenzofurane as dioxin modeland hexachlorobenzene (commercial pesticide).This work is supported by RFBR (grants 11-03-00372, 11-03-00820), Leading ScientificSchools grant НШ-2724.2012.3, and President RF grant for young scientists(МК-2917.2012.3). Results were obtained with the help of SRCCU “Nanochemistry andNanomaterials” of Lomonosov Moscow State University.183