Taming carbon dioxide: Molecular interactions in the solid state

该项目旨在研究需要哪些主客体系统的特征来将二氧化碳封装在固态中，特别是在固态观察的指导下的有机相互作用。减少和控制大气二氧化碳的技术将依赖于了解挥发性分子和设计的底物之间的分子间相互作用。该项目将使用结构化学、精确的X射线衍射数据、互补中子衍射实验、量子化学计算和计算机图形学。这些观察结果有望指导合成更有效的宿主。

This project aims to investigate what features of host-guest systems are needed to encapsulate carbon dioxide in the solid state, particularly organic interactions guided by solid state observations. Technologies that reduce and manipulate atmospheric carbon dioxide will rely on understanding the intermolecular interactions between volatile molecules and designed substrates. This project will use structural chemistry, accurate X-ray diffraction data, complementary neutron diffraction experiments, quantum chemical calculations and computer graphics. These observations are expected to guide the synthesis of more efficient hosts.