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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ciceco authors
impact metrics
journal analysis (jcr 2019):
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journal impact factor |
2 |
5 year journal impact factor |
2.272 |
category normalized journal impact factor percentile |
55.952 |
dimensions (citation analysis):
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altmetrics (social interaction):
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