Covalently grafted, silica gel supported mixed amino acid iron complexes – Syntheses, structural characterization and catalytic testing

Various propenoic acid stereoisomers 2,3-disubstituted with thienyl and/or phenyl groups were synthesised and their aggregation behaviour was studied both in solution and in the solid state by experimental (mid-range FT-IR spectroscopy) and computational (semiempirical and ab initio) methods. Expe...

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Bibliographic Details
Main Authors: Csendes Zita
Földi Nóra
Kiss T. János
Sipos Pál Miklós
Pálinkó István
Format: Article
Published: 2011-05-03
Series:Journal of Molecular Structure 993 No. 1-3
doi:10.1016/j.molstruc.2010.10.019

mtmt:1382324
Online Access:http://publicatio.bibl.u-szeged.hu/99
Description
Summary:Various propenoic acid stereoisomers 2,3-disubstituted with thienyl and/or phenyl groups were synthesised and their aggregation behaviour was studied both in solution and in the solid state by experimental (mid-range FT-IR spectroscopy) and computational (semiempirical and ab initio) methods. Experimental approach embraced the identification of potential hydrogen bonding sites through finding the relevant IR bands and monitoring their displacement upon increasing the acid concentration in solution and on going from solution to the solid state. In solution O-H center dot center dot center dot O hydrogen bonds were only found providing short-range ordering, while in the solid state C-H center dot center dot center dot S hydrogen bonds were identified. Hydrogen bonding sites could be assigned and relevant aggregate models could be built. Molecular modelling allowed obtaining good estimates for hydrogen bond lengths and angles and visualisation of the geometric arrangements. (C) 2010 Elsevier B.V. All rights reserved.
Physical Description:203-207
ISSN:0022-2860