CAS: Collaborative Research: Boronium Ionic Liquids - Impact of Structure on Chemistry, Electrochemical Stability, Ion Dynamics, and Charge Transport

在这项由化学部化学结构、动力学和机理B项目资助的合作研究中，美国南阿拉巴马大学化学系的James Davis和美国海军学院化学系的Paul Trulove、Tyler Cosby、David P Durkin将制备并表征一种新型液体盐（离子液体），这种液体盐的独特之处在于其核心含有以硼为中心的阳离子。本研究的主要目的是研究这些硼基离子液体的结构和组成如何影响关键的物理和化学性质。这是至关重要的信息，因为离子液体有潜力作为优质电解质（关键电池组件），并且，因此，可能导致电能存储（例如，电池，电容器），合成电化学和从电子废物中回收金属方面的重大改进。该项目将美国的合成工作与USNA的材料表征工作在一个动态循环中协同结合，以驱动优化的材料性能。此外，这种仅限本科生的研究机构的合作努力为本科生研究科学家提供了参与前沿科学的机会。该项目预计将产生一个基于硼离子与三氟阴离子[(CF3SO2)2N-]配对的结构和成分新颖的离子液体库。最初的一组化合物将由盐组成，包括环硼离子、双环硼离子和环硼离子。然后，这些离子液体将使用一系列物理化学技术进行表征，这些技术将询问它们的物理、光谱、热、离子和电化学性质。这部分工作的重点将是阐明特定阳离子分子结构变化对离子动力学的影响。然后，从这些研究中收集到的信息将与计算评估相结合，用于反馈回路中，以指导新阳离子变体的合成，以便(a)验证（或反驳）明显的关系，以及(b)指导具有优化性能的新阳离子的设计，特别是那些可能与这些盐作为能源设备（即电池）电解质的使用相关的阳离子。电容器)和合成电化学和/或金属电积的双溶剂电解质。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

In this collaborative research, funded by the Chemical Structure, Dynamics & Mechanisms B Program of the Chemistry Division, James Davis of the Department of Chemistry at the University of South Alabama (USA) and Paul Trulove, Tyler Cosby, David P Durkin of the Chemistry Department of the U.S. Naval Academy (USNA) will prepare and characterize a new class of liquid salts (ionic liquids), that are unique in having boron-centered cations at their core. The primary goal of this research is to investigate how the structure and composition of these boron-based ionic liquids impact key physical and chemical properties. This is vital information in that ionic liquids have the potential to serve as superior electrolytes (key battery components), and, as such, could lead to significant improvements in electrical energy storage (e.g., batteries, capacitors), synthetic electrochemistry, and the recovery of metals from electronic waste. This project synergistically ties the synthesis efforts at USA with materials characterization at USNA in a dynamic cycle to drive optimized material performance. Furthermore, this collaborative effort at undergraduate-only research institutions provides the opportunity for significant involvement of undergraduate research scientists in cutting-edge science.This project is expected to generate a library of structurally and compositionally novel ionic liquids based upon boronium cations paired with the triflimide anion [(CF3SO2)2N-]. The initial suite of compounds will consist of salts that include cyclic, bicyclic, and acylic boronium cations. These ionic liquids will then be characterized using a battery of physicochemical techniques which will interrogate their physical, spectroscopic, thermal, ionic, and electrochemical properties. A major emphasis of this portion of the proposed work will be to elucidate the influence of specific cation molecular structure changes on the ion dynamics. The information gleaned from these studies will then, in combination with computational evaluations, be used in a feedback loop to guide the synthesis of new cation variants in order to (a) validate (or refute) the apparent relationships, and (b) guide the design of new cations with optimized properties, especially ones that may be germane to the use of these salts as electrolytes in energy devices (i.e., batteries, capacitors) and as dual solvent-electrolytes for synthetic electrochemistry and/or for the electrowinning of metals.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.