Abstract

1,4-dioxane presents promising application in the field of organic synthesis. To discover the structural and phase information of 1,4-dioxane under pressure, in-situ high-pressure Raman measurement of 1,4-dioxane is carried out up to 15 GPa. At around 0.5 GPa, 1,4-dioxane undergoes a liquid–solid phase transition from liquid phase to a new high-pressure phase I. The evolution of Raman spectra in the region of 350–650 cm⁻¹ suggests that 1,4-dioxane is transformed from twisted-boat conformer to chair conformer. When the pressure increases to about 8 GPa, 1,4-dioxane undergoes a solid–solid phase transition to another new high-pressure phase II. This study, for the first time, comprehensively analyzes the conformational transformation of 1,4-dioxane in the solid phase and provides a new experimental strategy to identify conformational isomers.

Graphical abstract

中文翻译：

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1,4-二恶烷的压力诱导相变：从扭曲船形到椅子形变

摘要

1,4-二恶烷在有机合成领域中显示出有希望的应用。为了发现1,4二恶烷在压力下的结构和相信息，对1,4二恶烷进行了15 GPa的现场高压拉曼测量。1,4-二恶烷在约0.5 GPa时经历了从液相到新的高压相I的液相-固相​​转变。拉曼光谱在350-650 cm ^-1范围内的演化提示1，4-二恶烷已从扭曲船构型转变为椅子构型。当压力增加到大约8 GPa时，1,4-二恶烷经历了固-固相转变为另一个新的高压相II。这项研究首次全面分析了1,4-二恶烷在固相中的构象转化，并为鉴定构象异构体提供了新的实验策略。

图形概要