Inclusion compounds of phenol derivatives with cyclodextrins: a combined spectroscopic and thermal analysis
authors Sardo, M; Amado, AM; Ribeiro-Claro, PJA
nationality International
journal JOURNAL OF RAMAN SPECTROSCOPY
author keywords phenol derivatives; cyclodextrins; ab initio calculations; Raman spectroscopy; thermal analysis
keywords CYCLOMALTOHEXAOSE ALPHA-CYCLODEXTRIN; BETA-CYCLODEXTRIN; CRYSTAL-STRUCTURE; RAMAN; COMPLEX; DENSITY; STATE
abstract Inclusion compounds involving alpha-, beta- and gamma-cycloclextrins (alpha-, beta- and gamma CD) and phenol derivatives, namely 3-methoxyphenol (3MeOPh), 2-methoxyphenol (2MeOPh) and 3-methylphenol (3MePh), were investigated and characterized by combining Raman spectroscopy, ab initio calculations, DSC and TG analysis. The effects of the inclusion process on the guest molecules and on the hydrogen bond interactions of the guests were studied by monitoring sensitive modes, such as C-C and C-H ring stretching modes. Moreover, the combined use of the data available from Raman spectra, computational methods and the known x-ray structures of similar compounds, allowed the proposal of most probable structures for the alpha CD inclusion compounds. Both inclusion compounds of meta-substituted guests in alpha CD present unusual 1:2 or 2:3 stoichiometries. The Raman spectra of these inclusion compounds reveal the split of several modes, spread over the entire spectral range, indicating the presence of guest molecules inside and outside the CD cavity. Copyright (C) 2009 John Wiley & Sons, Ltd.
publisher JOHN WILEY & SONS LTD
issn 0377-0486
year published 2009
volume 40
issue 11
beginning page 1624
ending page 1633
digital object identifier (doi) 10.1002/jrs.2310
web of science category Spectroscopy
subject category Spectroscopy
unique article identifier WOS:000272521700023
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