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- W2083070147 abstract "Metal-support interaction involving the surface complex formed from the reaction of silica with Os3(CO)12 at 150°C has been modelled employing computer graphics and molecular mechanics techniques. This surface complex is generally represented as (μ-H)(μ-Osi) Os3(CO)10 (I), with a surface oxygen bridging two osmium atoms. However, a second arrangement with two surface oxygens bridging the same two osmium atoms, (μ-Os)2Os3(CO)10 (II), has also been considered. A computer model has been developed for partially hydroxylated silica surface. Employing structural parameters from model compounds, metal-support interaction of the cluster fragments (μ-H)Os3(CO)10 and Os3(CO)10 with surface oxygens to form surface complexes I and II was studied using energy minimization techniques and considering non-bonded contacts as a function of dihedral angle. The results clearly indicate that the cluster fragment Os3(CO)10 will not fit on the silica by means of a double oxygen bridge to two osmium atoms to give complex II; however, the (μ-H)Os3(CO)10 fragment will bind to selected oxygen sites of the silica without steric restraint to form complex I." @default.
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- W2083070147 date "1988-01-01" @default.
- W2083070147 modified "2023-09-26" @default.
- W2083070147 title "Metal-support interaction: (μ-H)(μ-OSiEt3)Os3(CO)10, A molecular analogue of a surface complex and the computer modelled surface structures of (μ-H)(μ-OSi)Os3(CO)10 and (μ-OSi)2Os3(CO)10" @default.
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- W2083070147 doi "https://doi.org/10.1016/s0277-5387(00)86359-7" @default.
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