Gas phase ion reaction dynamics

我的研究重点是气相离子的反应动力学。这项工作包括研究质谱学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。我们用质谱仪从实验上进行这项工作，并从理论上用统计速率理论和计算化学进行这项工作。我们特别感兴趣的是：小多环芳烃的离子化学，以帮助阐明它们在星际介质化学中的作用；实验串联质谱学数据的建模，以提取可靠的能量和熵，用于非共价络合物的解离，无论是聚合物还是肽；以及通过涉及金属阴离子的电子转移解离来解离蛋白质的新方法。

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.