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?

爱荷华大学的克劳迪奥·马古利斯得到了理论和计算化学计划的支持，他的研究正在发展室温离子液体（RTILs）的分子水平理论。这些溶剂令人感兴趣，因为它们可以溶解各种极性和非极性溶质，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具有良好的不挥发性溶剂的前景。马古利斯已经为描述这些离子液体开发了一个力场，现在正在研究最近在一些RTILs实验中观察到的慢动力学。CAREER项目正在调查这些RTILs的结构异质性，目标是预测哪一组阳离子和阴离子将表现出最大的这种异质性。这项工作正在对绿色化学技术的发展产生更广泛的影响，马古利斯在向地区高中少数民族学生开展的推广项目中强调了该项目的一个特点。

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.