The effect of charge on CO binding in rhodium carbonyls: From bridging to terminal CO

Ingmar Swart, Frank M. F. de Groot, Bert M. Weckhuysen, David M. Rayner, Gerard Meijer, Andre Fielicke

Research output: Contribution to journalArticleAcademicpeer-review

Abstract

The structures of cabonic rhodium carbonyl cluster compounds containing one to six Rh atoms are established by infrared multiple photon dissociation spectroscopy. Comparison with their weld known neutral analogues reveals that ionization of the neutral compounds destabilizes bridge bound CO ligands in Rh-2(CO)(8) and Rh-4(CO)(12), leading to cationic complexes with only terminally bound CO. The destabilization is associated with removal of charge from a highest occupied molecular orbital that is banding with respect to bridge-bound CO. Density functional theory calculations support this conclusion. The results provide a possible insight into electronic promoter effects in catalysis.
Original languageEnglish
Pages (from-to)2126-2127
Number of pages3
JournalJournal of the American Chemical Society
Volume130
Issue number7
DOIs
Publication statusPublished - 20 Feb 2008

Keywords

  • Clusters
  • Catalysts

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