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Structural Studies of β-Cyclodextrin and Permethylated β-Cyclodextrin Inclusion Compounds of Cyclopentadienyl Metal Carbonyl Complexes

✍ Scribed by Susana S. Braga; Filipe A. Almeida Paz; Martyn Pillinger; João D. Seixas; Carlos C. Romão; Isabel S. Gonçalves

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
210 KB
Volume
2006
Category
Article
ISSN
1434-1948

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✦ Synopsis

Abstract

[CpM(CO)__~n~__Cl] complexes with M = Fe (n = 2) and Mo (n = 3) have been immobilised in plain β‐cyclodextrin (β‐CD) and permethylated β‐CD (TRIMEB) by methods tailored according to the stabilities and solubilities of the individual components. Four adducts were obtained with a 1:1 host/guest stoichiometry. The compounds were studied by powder X‐ray diffraction (XRD), thermogravimetric analysis (TGA), ^13^C{^1^H} CP/MAS NMR and FTIR spectroscopy. A comparison of the experimental powder XRD data for the TRIMEB/[CpMo(CO)~3~Cl] inclusion compound with reference patterns revealed that the crystal packing is very similar to that reported previously for a TRIMEB/ethyl laurate inclusion compound. The unit‐cell parameters refined to a = 14.731, b = 22.476, c = 27.714 Å (volume = 9176.3 Å^3^), and the space group was confirmed as __P__2~1~2~1~2~1~. A hypothetical structural model of the inclusion compound was subsequently obtained by global optimisation using simulated annealing. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

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