Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/10459
Title: Interactions of Cationic and Neutral Molybdenum Complexes with β-Cyclodextrin Host Molecules
Authors: Lima, Sérgio 
Gonçalves, Isabel S. 
Ribeiro-Claro, Paulo 
Pillinger, Martyn 
Lopes, André D. 
Ferreira, Paula 
Teixeira-Dias, José J. C. 
Rocha, João 
Romão, Carlos C. 
Issue Date: 28-May-2001
Publisher: American Chemical Society
Citation: Organometallics. 20:11 (2001) 2191-2197
Abstract: The inclusion compounds formed between β-cyclodextrin (β-CD) and the tetrafluoroborate salts [Cp‘Mo(η4-C6H8)(CO)2][BF4] and the neutral derivatives Cp‘Mo(η3-C6H7)(CO)2 [Cp‘ = Cp (η5-C5H5), Ind (η5-C9H7)] were studied by means of elemental analysis, FTIR spectroscopy, thermogravimetric analysis (TGA), powder X-ray diffraction (XRD), and magic-angle spinning (MAS) NMR (13C, 11B). Additional information concerning the possible structure of the inclusion compounds was obtained from ab initio calculations using a two-layer approximation. The cationic and neutral η5-cyclopentadienyl analogues form stable two-to-one (host-to-guest) channel-type inclusion compounds in a crystalline state. By contrast, the η5-indenyl analogues form only weak complexes with β-CD and it is evident that the organometallic guests are easily liberated from the host cavities. The ab initio calculations revealed that the steric hindrance arising from the presence of the indenyl ligand is a possible explanation for the experimentally observed lower stability of these compounds.
URI: http://hdl.handle.net/10316/10459
ISSN: 0276-7333
DOI: 10.1021/om001088s
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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