Intermolecular structure and hydrogen-bonding in liquid 1,2-propylene carbonate and 1,2-glycerol carbonate determined by neutron scatteringElectronic supplementary information (ESI) available: C/O centred partial radial distribution functions and centre of mass spatial density function maps calculated for propylene carbonate and glycerol carbonate. See DOI: 10.1039/c6cp07790k

Neutron diffraction with isotopic substitution has been used to investigate the liquid structures of propylene carbonate and glycerol carbonate. C-H O&z.dbd;C hydrogen-bonding motifs dominate the local structure of propylene carbonate, giving rise to the formation of head-to-tail correlated chai...

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Hauptverfasser: Delavoux, Yoan M, Gilmore, Mark, Atkins, Martin P, Swad ba-Kwa ny, Ma gorzata, Holbrey, John D
Format: Artikel
Sprache:eng
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Zusammenfassung:Neutron diffraction with isotopic substitution has been used to investigate the liquid structures of propylene carbonate and glycerol carbonate. C-H O&z.dbd;C hydrogen-bonding motifs dominate the local structure of propylene carbonate, giving rise to the formation of head-to-tail correlated chains of molecules. In contrast, glycerol carbonate exhibits a more disordered structure with no overall dominant interactions in which the pendant hydroxyl function disrupts structure-making correlations present in propylene carbonate. Propylene carbonate C&z.dbd;O H-C hydrogen-bonding motifs are disrupted in glycerol carbonate by the presence of the hydroxyl group.
ISSN:1463-9076
1463-9084
DOI:10.1039/c6cp07790k