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CAREER: Molecular Characterization of Motions, Interactions, and Structure of the Lithium Salts in Organic Solvents via Non-Linear Infrared Spectroscopy

职业：通过非线性红外光谱对有机溶剂中锂盐的运动、相互作用和结构进行分子表征

基本信息

批准号：
1751735
负责人：
Daniel Kuroda
金额：
$ 65万
依托单位：
Louisiana State University
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2018
资助国家：
美国
起止时间：
2018-07-01 至 2024-06-30
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1751735&HistoricalAwards=false
关键词：
CAREER Molecular Characterization Motions Interactions

项目摘要

In this project funded by the Chemical Structure Dynamics and Mechanism (CSDM-A) program of the Chemistry Division, Professor Daniel Kuroda of Louisiana State University and his undergraduate and graduate students are using advanced laser methods and computer simulations to study the chemical structure of lithium salts in different organic solvents. Organic solutions of lithium salts have become ubiquitous to science and engineering, through their use in energy storage, pharmaceutical formulations, and industrial chemical processes. Lithium salts contain positively charged lithium ions ("cations") and negatively charged ions ("anions"). How the molecules of the solvent are arranged around the cations and anions of the salt determines the properties of the solution, for instance its electrical conductivity. Observing such molecular arrangements is difficult because the molecules and ions are always moving quickly throughout the solution. Professor Kuroda's group uses advanced laser spectroscopies to instantaneously probe the spatial arrangement of the lithium salt components in the liquid. These studies are advancing scientists' general understanding of the structure of ionic solutions, and may ultimately help engineers design lithium salt solutions for different technological applications. Prof. Daniel G. Kuroda and his research group utilizes an array of infrared laser spectroscopies, including two dimensional infrared spectroscopy, to obtain dynamics and structural information about lithium salts in the organic solvents. The approach has shown substantial promise on its own, but when combined with well-established theoretical methodologies provides direct molecular insights. Thus, the experimental methodology allows one to obtain a comprehensive molecular picture of lithium salts in different organic solutions, including the formation and dissociation of ion pairs. The research products also serve as guides for the rational design of the lithium salt solutions in applications, such as electrochemical storage systems. All of the students involved in the project receive training in modern ultrafast laser spectroscopies, computer simulations, data analysis, and theoretical modeling. In addition to the higher education component, the outreach part of the award also focuses on helping and assisting high school teachers in preparing curricular and extra-curricular activities, and on giving high school students the opportunity of performing college level chemistry laboratory classes in the university chemistry laboratory environment.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

在这个由化学部化学结构动力学与机理（CSDM-A）项目资助的项目中，路易斯安那州立大学的Daniel Kuroda教授和他的本科生和研究生正在利用先进的激光方法和计算机模拟来研究锂盐在不同有机溶剂中的化学结构。锂盐的有机溶液通过在能源储存、药物配方和工业化学过程中的使用，在科学和工程中已经无处不在。锂盐含有带正电的锂离子（“阳离子”）和带负电的离子（“阴离子”）。溶剂分子在盐的阳离子和阴离子周围的排列方式决定了溶液的性质，例如其电导率。观察这种分子排列很困难，因为分子和离子总是在溶液中快速移动。黑田教授的团队使用先进的激光光谱仪来即时探测液体中锂盐成分的空间排列。这些研究正在增进科学家对离子溶液结构的一般理解，并最终可能帮助工程师为不同的技术应用设计锂盐溶液。 Daniel G. Kuroda 教授和他的研究小组利用一系列红外激光光谱（包括二维红外光谱）来获取有机溶剂中锂盐的动力学和结构信息。该方法本身已显示出巨大的前景，但与成熟的理论方法相结合时，可以提供直接的分子见解。因此，实验方法允许人们获得不同有机溶液中锂盐的全面分子图像，包括离子对的形成和解离。研究产品还可以为电化学存储系统等应用中锂盐溶液的合理设计提供指导。参与该项目的所有学生都接受了现代超快激光光谱、计算机模拟、数据分析和理论建模的培训。除了高等教育部分之外，该奖项的外展部分还侧重于帮助和协助高中教师准备课程和课外活动，以及为高中生提供在大学化学实验室环境中进行大学水平化学实验室课程的机会。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。