Gas phase ion reaction dynamics

气相离子反应动力学

• 批准号: 203127-2011
• 负责人: Mayer, Paul
• 金额: $ 4.89万
• 依托单位: University of Ottawa
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2014
• 资助国家: 加拿大
• 起止时间: 2014-01-01 至 2015-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=546254
• 关键词: Gas; phase; ion; reaction; dynamics

My research focuses on the dynamics of the reactions of gas-phase ions. The work involves studying the mechanisms for ion dissociation and reactivity in mass spectrometry and the energetic and entropic factors that influence this reactivity. We pursue this work experimentally with mass spectrometry and theoretically with statistical rate theory and computational chemistry. We are particularly interested in: the ion chemistry of small polycyclic aromatic hydrocarbons to help elucidate their role in the chemistry of the interstellar medium; the modeling of experimental tandem mass spectrometry data to extract reliable energetics and entropics for the dissociation of non-covalent complexes, be they polymers or peptides; and new methods for dissociating proteins by electron transfer dissociation involving metal anions.

我的研究重点是气相离子反应的动力学。 这项工作包括研究质谱中离子解离和反应性的机制以及影响这种反应性的能量和熵因素。 我们追求这项工作的实验与质谱和理论与统计速率理论和计算化学。 我们特别感兴趣的是：小的多环芳烃的离子化学，以帮助阐明其在星际介质的化学作用;实验串联质谱数据的建模，以提取可靠的能量和熵的非共价复合物的解离，无论是聚合物或肽;和新的方法解离蛋白质的电子转移解离涉及金属阴离子。