Article ID Journal Published Year Pages File Type
5417043 Journal of Molecular Structure: THEOCHEM 2010 6 Pages PDF
Abstract
In this work, some vinylpyranoanthocyanin-phenolic pigments were studied using both theoretical and experimental approaches. Detailed conformational analysis carried out both at classical and quantum levels strongly suggested a conformational flexibility. The vinylic group was associated with a putative formation of four conformer populations with implication in the physicochemical properties of the molecules in study. The theoretical results obtained are consistent with the appropriate NMR experiments carried out for these compounds.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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