Structure and Reactivity of Organic Radical Cations

9414271罗斯罗格斯大学将提供有关有机自由基阳离子的结构和反应的新知识，以及对光诱导电子转移反应的新见解。通过包括光诱导电子转移、化学氧化和辐射分解在内的方法，各种自由基阳离子将在一系列介质中产生，包括流体溶液、冷冻玻璃和固体载体（例如沸石）。它们的结构将用光谱学方法进行表征，包括光谱学、ESR和CIDNP。实验将辅以从头算分子轨道计算。这项来自有机动力学项目的资助支持了罗格斯大学海因茨·d·罗斯教授的持续工作。罗斯教授将要研究的自由基阳离子是带有一个单位正电荷和一个没有与另一个电子配对的电子的活性分子。自由基离子可以在未配对电子位或正电荷位发生反应。这些反应以及其他反应将在本研究中讨论。此外，自由基阳离子的结构将由现代光谱技术在各种环境中确定。理论计算将补充实验。

9414271 Roth Rutgers University New knowledge about the structures and reactions of organic radical cations will be provided as well as new insights into light-induced electron transfer reactions. A variety of radical cations will be generated in a range of media, including fluid solutions, frozen glasses, and solid supports (e.g., zeolites) by methods that include photo-induced electron transfer, chemical oxidation, and radiolysis. Their structures will be characterized by spectroscopic methods which include optical spectroscopy, ESR, and CIDNP. The experiments will supplemented by ab initio molecular orbital calculations. This grant from the Organic Dynamics Program supports the continuing work of Professor Heinz D. Roth at Rutgers University. Radical cations that will be studied by Professor Roth are reactive molecules that carry one unit of positive charge and one electron that is not paired with another electron. Radical cations may under go reaction either at the unpaired electron site or at the site of positive charge. These reactions as well as others will be addressed in this research. In addition, the structures of radical cations will be determined by modern spectroscopic techniques in various environments. Theoretical calculations will supplement the experiments.