Article ID Journal Published Year Pages File Type
5395010 Computational and Theoretical Chemistry 2011 7 Pages PDF
Abstract
► We study OH⋯OC H bond interactions in polyol-containing hydroxyketones. ► We examine changes in H bond strength with polyol size. ► Bifurcated H bonds exhibit destabilizing cooperative effects. ► Regular H bonds exhibit stabilizing cooperative effects. ► Stabilizing effects are larger than destabilizing cooperative effects.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Cooperative effects in regular and bifurcated intramolecular OH⋯OC interactions: A computational study
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