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、动力学机制B计划资助的合作研究中，南亚拉巴马大学化学系的James Davis（美国）和美国海军学院（USNA）化学系的Paul Trulove、泰勒考斯比、大卫P Durkin将制备和表征一类新的液体盐（离子液体），这种液体在其核心具有硼中心阳离子方面是独一无二的。 本研究的主要目标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。 这是重要的信息，因为离子液体具有用作上级电解质（关键电池组分）的潜力，并且因此可以导致电能存储的显著改进（例如，电池、电容器）、合成电化学以及从电子废物中回收金属。 该项目将美国的合成工作与USNA的材料表征在一个动态循环中协同结合，以推动优化材料性能。 此外，在本科生的研究机构的这种合作努力提供了机会，本科研究科学家在尖端科学的重大参与。该项目预计将产生一个库的结构和组成新颖的离子液体的基础上硼阳离子与三氟甲磺酰亚胺阴离子配对[（CF 3SO 2）2N-]。 最初的一套化合物将由包括环状、双环和非环状硼鎓阳离子的盐组成。这些离子液体，然后将其特征在于使用电池的物理化学技术，将询问其物理，光谱，热，离子和电化学性质。 一个主要的重点，这部分拟议的工作将是阐明特定的阳离子分子结构的变化对离子动力学的影响。 然后，从这些研究中收集的信息将与计算评估相结合，用于反馈回路以指导新阳离子变体的合成，以便（a）验证（或反驳）表观关系，以及（B）指导具有优化性质的新阳离子的设计，特别是可能与这些盐在能量装置中用作电解质密切相关的那些（即，该奖项反映了NSF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.