Experimental and theoretical study of the encapsulation of a linear oligo(ferrocenylsilane) trimer with beta-cyclodextrin
authors Fernandes, JA; Lima, S; Braga, SS; Pillinger, M; Rodriguez-Borges, JE; Ribeiro-Claro, P; Teixeira-Dias, JJC; Goncalves, IS
nationality International
journal EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
author keywords cyclodextrins; ferrocene; inclusion compounds; oligo(ferrocenes); ab initio calculations
keywords POLY(FERROCENYLSILANE) HIGH POLYMERS; C-13 CHEMICAL-SHIFTS; ORGANOMETALLIC COMPLEXES; INCLUSION COMPLEXES; N-BUTANE; FERROCENE; MODELS; CHEMISTRY; NONLINEARITIES; POLYMERIZATION
abstract An inclusion compound comprising P-cyclodextrin (P-CD) and the trimetallic oligo(ferrocenylsilane) FcSiMe(2)[(eta(5)-C5H4)Fe( eta(5)-C5H4SiMe2)]Fc [Fc = (eta(5)-C5H5)Fe(eta(5)-C5H4)] has been prepared and characterised in the solid state by elemental analysis, powder X-ray diffraction, thermogravimetric analysis and magic angle spinning NMR spectroscopy (C-13, Si-29). The results are consistent with the formation of a 2:1 (host-to-guest) inclusion complex. Ab initio calculations were carried out in order to investigate the possible inclusion geometries. The best host-guest fit was obtained for a tilted geometry of the ferrocene fragment relative to the beta-CD axis (phi = 29 degrees) with a 140-pm inclusion of the corresponding Fe centre below the plane of the rim. The structure of the organometallic trimer allows its inclusion interaction with a second beta-CD host, leading to the 2:1 stoichiometry. ((c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005).
publisher WILEY-V C H VERLAG GMBH
issn 1434-1948
year published 2005
issue 23
beginning page 4729
ending page 4734
digital object identifier (doi) 10.1002/ejic.200500551
web of science category Chemistry, Inorganic & Nuclear
subject category Chemistry
unique article identifier WOS:000233896500007
  ciceco authors
  impact metrics
journal analysis (jcr 2017):
journal impact factor 2.507
5 year journal impact factor 2.381
category normalized journal impact factor percentile 70.000
dimensions (citation analysis):
altmetrics (social interaction):



 


Apoio

1suponsers_list_ciceco.jpg