Taming carbon dioxide: Molecular interactions in the solid state

驯服二氧化碳：固态分子相互作用

• 批准号: DP170104816
• 负责人: Prof Mark Spackman
• 金额: $ 26.67万
• 依托单位: The University of Western Australia
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2017
• 资助国家: 澳大利亚
• 起止时间: 2017-04-01 至 2020-12-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP170104816
• 关键词: Taming; carbon; dioxide; Molecular; interactions

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.

该项目旨在研究在固态中封装二氧化碳所需的主客体系统的特征，特别是由固态观测指导的有机相互作用。减少和控制大气中二氧化碳的技术将依赖于对挥发性分子和设计基质之间分子间相互作用的理解。该项目将使用结构化学、精确的X射线衍射数据、补充中子衍射实验、量子化学计算和计算机图形。这些观察有望指导更有效的主机的合成。