CAREER: Structural and dynamical heterogeneity in room-temperature ionic liquids. How do we engineer them to obtain the most solvent induced excited-state photo-selectivity?

职业：室温离子液体的结构和动力学异质性。

• 批准号: 0547640
• 负责人: Claudio Margulis
• 金额: $ 56.51万
• 依托单位: University of Iowa
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-01-15 至 2011-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0547640&HistoricalAwards=false
• 关键词: CAREER; Structural; dynamical; heterogeneity; room

Claudio Margulis of the University of Iowa is supported by the Theoretical and Computational Chemistry program for research that is developing a molecular- level theory of room - temperature ionic liquids (RTILs). These solvents are of interest because they can dissolve a wide range of polar and non-polar solutes and although they are liquid at room temperature, their vapor pressure is very low. Thus, they hold promise in green chemistry applications as good solvents that are non - volatile. Margulis has developed a force field for the description of these ionic liquids and is now investigating the slow dynamics that have recently been observed experimentally for some RTILs. The CAREER project is investigating the structural heterogeneity of these RTILs and the goal is to predict which set of cations and anions will exhibit the largest such heterogeneity. The work is having a broader impact on the development of green chemistry techniques, a feature of the project which is emphasized by Margulis in an outreach program to minority students at area high schools.

爱荷华州大学的克劳迪奥·马古利斯得到了理论和计算化学项目的支持，研究正在开发室温离子液体（RTIL）的分子水平理论。 这些溶剂是令人感兴趣的，因为它们可以溶解广泛的极性和非极性溶质，尽管它们在室温下是液体，但它们的蒸气压非常低。 因此，它们在绿色化学应用中作为非挥发性的良好溶剂有希望。 Margulis已经开发了一个力场来描述这些离子液体，现在正在研究最近在实验中观察到的一些RTIL的缓慢动力学。 CAREER项目正在研究这些RTIL的结构异质性，目标是预测哪组阳离子和阴离子将表现出最大的异质性。 这项工作对绿色化学技术的发展产生了更广泛的影响，这是该项目的一个特点，马古利斯在一个面向地区高中少数民族学生的推广计划中强调了这一点。