Structural Rationalization of the Phase Transition Behavior in a Solid Organic Inclusion Compound: Bromocyclohexane/Thiourea

被引：16

作者：

Palmer, Benjamin A. ^{[1
]}

Kariuki, Benson M. ^{[1
]}

Morte-Rodenas, Anabel ^{[1
]}

Harris, Kenneth D. M. ^{[1
]}

机构：

[1] Cardiff Univ, Sch Chem, Cardiff CF10 3AT, S Glam, Wales

来源：

CRYSTAL GROWTH & DESIGN | 2012年 / 12卷 / 02期

基金：

英国工程与自然科学研究理事会;

关键词：

X-RAY-DIFFRACTION; MONOSUBSTITUTED CYCLOHEXANES; CONFORMATIONAL PROPERTIES; NMR INVESTIGATIONS; THIOUREA; UREA; SCATTERING; CRYSTAL; SPECTROSCOPY; COMPLEXES;

D O I：

10.1021/cg201656y

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Structural properties of the bromocyclohexane/thiourea inclusion compound have been determined using both single-crystal and powder X-ray diffraction over a range of temperatures above and below a first-order phase transition at 233 K in this material. The results demonstrate marked contrasts to the phase transition behavior in the prototypical cyclohexane/thiourea inclusion compound, demonstrating that relatively small changes in molecular geometry (in this case bromine substitution) can have a profound influence on the structural properties of the low-temperature phase in such materials.

引用

页码：577 / 582

页数：6

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