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

Leh Yeh Hsu*, Sheldon G. Shore, Linda D'Ornelas, Agnes Choplin, Jean Marie Basset

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

14 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)2399-2403
Number of pages5
JournalPolyhedron
Volume7
Issue number22-23
DOIs
StatePublished - Jan 1 1988
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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