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

NSF化学部的化学结构，动力学和机制计划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进行化学反应性和反应分子结构的基础研究。 这些知识用于开发新的试剂，这些试剂可以有效地用于有机，无机和有机金属化学领域的化学合成。 第二个重点是发展新技术，用于研究有机分子的分解过程。 有机分子碎片化用于反应性分子的合成，以及重要有机分子的分解研究，包括与生物燃料和高能材料相关的有机分子。 温索尔德教授的研究也有助于社会更广泛的组成部分，无论是在研究领域的意义，并通过对教育的贡献。 裂解研究有助于通过确定模型系统中的反应产物来快速热解生物质以开发生物燃料。 该项目通过收集大学生学习有机化学所需的在线资源，有效地作为有机化学主题的“互联网索引”，为教育做出贡献。本项目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。 氮烯的电子结构的调查进行，以确定分子中的不成对电子可以相互作用的机制，以及这些相互作用是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烯试剂。 该项目的第二个重点是开发使用“电荷远程碎裂”作为热解的替代方法，以研究有机分子的分解过程。 通过使用电喷雾电离质谱法，可以检查通常不适合气相热解的大的非挥发性分子的分解，包括与生物燃料和高能材料相关的分子。 该项目在研究领域（生物燃料）的重要性和通过对教育的贡献方面为社会更广泛的组成部分做出了贡献。 具体来说，涉及到一个收集的链接到网上资源，可以用于本科生的有机化学的研究，服务，有效地，作为一个“索引到互联网”的有机化学主题的继续发展。

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.