Spectroscopic Studies of Microsolvation, Hydrogen Bonding, and Proton Transfer

微溶剂化、氢键和质子转移的光谱研究

• 批准号: 1266320
• 负责人: Kenneth Leopold
• 金额: $ 41.66万
• 依托单位: University of Minnesota-Twin Cities
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-09-01 至 2016-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1266320&HistoricalAwards=false
• 关键词: Spectroscopic; Studies; Microsolvation; Hydrogen; Bonding

Through this award, funded by the Chemical Structure, Dynamics, and Mechanisms - A Program of the Division of Chemistry, Prof. Kenneth R. Leopold will elucidate fundamental aspects of microsolvation, hydrogen bonding, and proton transfer through microwave spectroscopy of small gas phase clusters. Toward this goal, a new chirped-pulse microwave spectrometer will be constructed. The new instrument will run in tandem with the existing cavity-type Fourier transform microwave spectrometer at the Minnesota laboratory and will reduce data acquisition time by two to three orders of magnitude. Accurate moments of inertia and nuclear hyperfine constants will be obtained from spectra and used to determine the structures of the complexes studied as well as the nature of the electron distributions within the monomer units. The fundamental science will be explored, in many cases, using molecules that are active in the Earth's atmosphere, producing a blend of basic and applied science. The ability to collect data rapidly will permit the sharing of resources with faculty and undergraduates at primarily undergraduate institutions, thus expanding both the scientific and educational impact of the new spectrometer. Molecules have distinct preferences for how they interact when they approach each other, and these preferences have important effects on the macroscopic world as we know it. This research involves detailed studies aimed at understanding how these intermolecular interactions in the microscopic world relate to the properties of bulk matter. By studying how molecules absorb microwaves, the distances between atoms and the angles between bonds can be determined. Then, by forming small clusters (small groups of molecules), it is possible to learn about the geometric features of intermolecular interactions and how these features evolve as the molecules assemble. Such information constitutes foundational knowledge for a wide variety of disciplines. For example, small molecular clusters can play several roles in the chemistry of the Earth's atmosphere, as they are involved in processes leading to atmospheric acids and aerosols. Moreover, small molecular clusters offer microscopic insight into the molecules dissolve in solutions, whose properties can determine the efficacy of synthetic and industrial processes. Intermolecular interactions also play an important role in biology through their influence on the shapes (conformations) of molecules important in life processes. Thus, this work will have broad impact in areas ranging from environmental chemistry, to industrial chemistry, to molecular biology. The participation of graduate students, undergraduates, and postdoctoral fellows adds a significant educational component to the broader impact of this work.

通过该奖项，由化学结构，动力学和机制资助 - 化学划分的计划，肯尼思·R·利奥波德（Kenneth R. Leopold）教授将通过小气相群集的微波谱传递微溶解，氢键和质子转移的基本方面。为了实现这一目标，将构建一个新的流行脉冲微波光谱仪。新仪器将与明尼苏达州实验室的现有空腔型傅立叶变换微波光谱仪协同运行，并将数据采集时间减少2至3个数量级。将从光谱中获得惯性和核超精美常数的准确力矩，并用于确定所研究的复合物的结构以及单体单元内电子分布的性质。在许多情况下，将使用活性在地球大气中的分子来探讨基本科学，从而产生基本和应用科学的混合物。迅速收集数据的能力将允许在主要是本科机构的教职员工和本科生共享资源，从而扩大新光谱仪的科学和教育影响。分子对它们相互接近时的相互作用有不同的偏好，这些偏好对我们所知的宏观世界具有重要影响。这项研究涉及详细的研究，旨在了解微观世界中这些分子间相互作用与批量物质的特性如何相关。通过研究分子如何吸收微波，可以确定原子与键之间的角度之间的距离。然后，通过形成小簇（一小部分分子），可以了解分子间相互作用的几何特征，以及随着分子的聚集，这些特征如何演变。这些信息构成了各种学科的基础知识。例如，小分子簇可以在地球大气的化学中起多种作用，因为它们参与了导致大气酸和气溶胶的过程。此外，小分子簇为溶解在溶液中的分子提供了微观见解，其特性可以确定合成过程和工业过程的功效。分子间相互作用在生物学中对生命过程中重要的分子的形状（构象）的影响在生物学中也起着重要作用。因此，这项工作将对从环境化学到工业化学再到分子生物学的领域产生广泛的影响。研究生，本科生和博士后研究员的参与为这项工作的广泛影响增添了重要的教育成分。