High Energy Single-Crystal Microdiffraction on I15 Applied to Noble-Gas Compounds

I15 的高能单晶微衍射应用于稀有气体化合物

• 批准号: 2581384
• 金额: --
• 依托单位: University of Edinburgh
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2021
• 资助国家: 英国
• 起止时间: 2021 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2581384
• 关键词: Energy; Single; Crystal; Microdiffraction; I15

The distinction between intra- and inter-molecular interactions in compounds of the heavier p-block elements is often harder to define than in the first row, but transitions between them control properties such as non-metallic, metalloid and metallic behaviour and affect electronic structure and electrical conductivity. The aim of this project is to explore and manipulate the interface between intra- and intermolecular bonding in compounds of the noble gases xenon and krypton using pressures up to 50 GPa (half a million times atmospheric pressure). Crystal structures will be determined on Beamline I15 at Diamond, transforming the quality of high-pressure single-crystal diffraction data available at synchrotrons. Other techniques to be used include vibrational spectroscopy and periodic density functional theory as well as specialised methods for handling highly reactive fluorine-containing compounds.

较重的p区元素的化合物中分子内和分子间相互作用之间的区别通常比第一行更难定义，但它们之间的过渡控制非金属，准金属和金属行为等性质，并影响电子结构和导电性。该项目的目的是探索和操纵惰性气体氙和氪的化合物中分子内和分子间键合之间的界面，使用的压力高达50 GPa（大气压力的50万倍）。晶体结构将在Diamond的Beamline I15上确定，从而改变同步加速器上可用的高压单晶衍射数据的质量。其他技术包括振动光谱和周期密度泛函理论，以及处理高活性含氟化合物的专门方法。