Charge-Remote Mass Spectrometry: A Tool for the Physical Organic Studies of Reactive Intermediates and Gas-Phase Biological Molecules

电荷远程质谱：反应中间体和气相生物分子物理有机研究的工具

• 批准号: 1565755
• 负责人: Paul Wenthold
• 金额: $ 44万
• 依托单位: Purdue University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-06-01 至 2020-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1565755&HistoricalAwards=false
• 关键词: Charge; Remote; Mass; Spectrometry; Tool

The Chemical Structure, Dynamics and Mechanism Program of the NSF Chemistry Division supports the research of Professor Paul Wenthold in the Department of Chemistry at Purdue University. Professor Wenthold and his students use mass spectrometry for fundamental studies of chemical reactivity and structure in reactive molecules. This knowledge is used to develop new reagents that can be used effectively in chemical synthesis in the areas of organic, inorganic and organometallic chemistry. A second focus involves the development of new techniques for the investigation of decomposition processes of organic molecules. Organic molecule fragmentation is used for the synthesis of reactive molecules, and for the investigation of the decomposition of important organic molecules, including those related to biofuels and energetic materials. Professor Wenthold's research also contributes to a broader component of society in both the significance of the research area and through contributions to education. The fragmentation studies contribute to the development of bio-fuels through fast-pyrolysis of biomass by determining the products of the reactions in model systems. The work contributes to education through the collection of on-line resources that can be used by undergraduates for the study of organic chemistry, serving, effectively, as an "index to the internet" on organic chemistry topics.The work carried out in this project involves the use of mass spectrometry for fundamental studies of chemical reactivity and structure. Investigations of the electronic structures of nitrenes are carried out to determine the mechanisms by which unpaired electrons in molecules can interact, and how those interactions are affected by molecular structure. This knowledge is used to develop nitrene reagents that can be used effectively in chemical synthesis. A second focus of the project is in developing the use of "charge remote fragmentation" as an alternative to pyrolysis for the investigation of decomposition processes of organic molecules. By using mass spectrometry with electrospray ionization, it is possible to examine the decomposition of large, non-volatile molecules, not typically amenable to gas-phase pyrolysis, including those related to biofuels and energetic materials. The project contributes to the broader component of society in both the significance of the research area (biofuels) and through contributions to education. Specifically, involves the continued development of a collection of links to on-line resources that can be used by undergraduates for the study of organic chemistry, serving, effectively, as an "index to the internet" on organic chemistry topics.

NSF 化学部的化学结构、动力学和机理项目支持普渡大学化学系 Paul Wenthold 教授的研究。 Wenthold 教授和他的学生使用质谱法对反应分子的化学反应性和结构进行基础研究。 这些知识用于开发可有效用于有机、无机和有机金属化学领域的化学合成的新试剂。 第二个重点涉及开发用于研究有机分子分解过程的新技术。 有机分子裂解用于反应性分子的合成以及重要有机分子的分解研究，包括与生物燃料和含能材料相关的有机分子。 温特霍尔德教授的研究还通过研究领域的重要性和对教育的贡献为社会更广泛的组成部分做出了贡献。 通过确定模型系统中的反应产物，碎片化研究有助于通过生物质的快速热解来开发生物燃料。 这项工作通过收集可供本科生用于有机化学研究的在线资源，为教育做出贡献，有效地作为有机化学主题的“互联网索引”。该项目中开展的工作涉及使用质谱法进行化学反应性和结构的基础研究。 对氮宾电子结构的研究是为了确定分子中不成对电子相互作用的机制，以及这些相互作用如何受到分子结构的影响。 这些知识用于开发可有效用于化学合成的氮宾试剂。 该项目的第二个重点是开发使用“电荷远程碎片”作为热解的替代方法来研究有机分子的分解过程。 通过使用电喷雾电离质谱法，可以检查大的非挥发性分子的分解，这些分子通常不适合气相热解，包括与生物燃料和含能材料相关的分子。 该项目通过研究领域（生物燃料）的重要性和对教育的贡献为社会更广泛的组成部分做出了贡献。 具体来说，涉及持续开发一系列在线资源链接，本科生可以使用这些资源来学习有机化学，有效地充当有机化学主题的“互联网索引”。