Spectroscopic and thermal studies on the inclusion of trans-cinnamic acid and a number of its hydroxyl-derivatives with alpha, beta and gamma-cyclodextrins molecules
authors Nolasco, MM; Amado, AM; Ribeiro-Claro, PJA
nationality International
journal JOURNAL OF RAMAN SPECTROSCOPY
author keywords cyclodextrins; trans-cinnamic acid hydroxyl-derivatives; Raman spectroscopy; thermogravimetric analysis; ab initio calculations
keywords CRYSTAL-STRUCTURE; FERULIC ACID; CAFFEIC ACID; SOLID-STATE; VIBRATIONAL MICROSPECTROSCOPY; ANTIOXIDANT ACTIVITY; RAMAN-SPECTROSCOPY; SINGLE-CRYSTALS; PHENOLIC-ACIDS; GALLIC ACID
abstract The inclusion compounds of alpha-, beta- and gamma-cycloclextrins (alpha-CD, beta-CD and gamma-CD) with trans-cinnamic acid (t-CIA), 3-hydroxytrans-cinnamic acid (t-3OHCIA), 4-hydroxy-trans-cinnamic acid (t-4OHCIA) and 3,4-dihydroxy-trans-cinnamic acid (t-3,4OHCIA) were prepared and characterized, in the solid state, by means of thermogravimetry and Raman spectroscopy. The effects of the inclusion process on the guest molecules and on the hydrogen bond interactions of the guest were studied by monitoring sensitive vibrational modes, such as C=O, C=C and ring C-H stretching modes. By combining Raman and TG data with ab initio calculations and information from CSD database on similar compounds, inclusion geometries for the different compounds are proposed. The size of the host cavity and the maximization of host/guest hydrogen-bonding contacts appear to be the main factors determining the inclusion geometries. Copyright (C) 2009 John Wiley & Sons, Ltd.
publisher WILEY-BLACKWELL
issn 0377-0486
year published 2009
volume 40
issue 6
beginning page 687
ending page 695
digital object identifier (doi) 10.1002/jrs.2182
web of science category Spectroscopy
subject category Spectroscopy
unique article identifier WOS:000267717900014
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