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通过中子散射测定液态碳酸1,2 - 丙二醇酯和碳酸1,2 - 甘油酯中的分子间结构和氢键。

Intermolecular structure and hydrogen-bonding in liquid 1,2-propylene carbonate and 1,2-glycerol carbonate determined by neutron scattering.

作者信息

Delavoux Yoan M, Gilmore Mark, Atkins Martin P, Swadźba-Kwaśny Małgorzata, Holbrey John D

机构信息

QUILL, School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast, BT9 5AG, Northern Ireland, UK.

出版信息

Phys Chem Chem Phys. 2017 Jan 25;19(4):2867-2876. doi: 10.1039/c6cp07790k.

Abstract

Neutron diffraction with isotopic substitution has been used to investigate the liquid structures of propylene carbonate and glycerol carbonate. C-HO[double bond, length as m-dash]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.

摘要

采用同位素取代的中子衍射技术研究了碳酸丙烯酯和碳酸甘油酯的液体结构。C-HO=C氢键基序主导着碳酸丙烯酯的局部结构,导致形成头对尾相关的分子链。相比之下,碳酸甘油酯表现出更为无序的结构,没有整体占主导的相互作用,其中侧链羟基功能破坏了碳酸丙烯酯中存在的结构形成相关性。

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