Spectroscopic Probes of Molecule Structure and Dynamics

在这个由化学系实验物理化学项目资助的奖项中，帕特里克H.耶鲁大学的瓦卡罗和他的研究生及本科生研究人员将研究一些气相化学系统的结构和性质。 其中包括将在环酚酮和低势垒氢键和锥形交叉点的α-二酮烯醇的氢键隧穿动力学的激光光谱研究。 此外，Vaccaro教授和他的团队将继续他们的开拓性努力，开发超灵敏的方法，用于测量气相手性分子的旋光色散和电子圆二色性，使用腔衰荡技术。氢键在许多情况下都很重要，包括赋予水独特的化学和物理性质，以及作为生物分子相互作用的重要组成部分。 瓦卡罗的小组将研究氢键的行为在许多伪装。 Vacarro在气相手性光谱学方面的工作为理论家提供了重要的无溶剂测量方法，可以与基于计算机的光学活性计算进行比较。 这已经提供了一些重要的、非直观的见解，并将继续这样做。 在瓦卡罗实验室接受培训的学生将接受激光光谱学现代方法的培训，并将成为技术劳动力的重要补充。 Vaccaro的研究小组大多数是女性，因此Vaccaro教授正在为这一代表性不足的群体中科学家人数的增加做出贡献。

In this award, funded by the Experimental Physical Chemistry Program of the Division of Chemistry, Professor Patrick H. Vaccaro of Yale University, together with his graduate and undergraduate student researchers, will study the structure and properties of a number of gas-phase chemical systems. Included amongst these will be laser spectroscopic studies of the hydrogen-bond tunneling dynamics in tropolone and the low-barrier hydrogen bonding and conical intersections in ß-diketo enols. In addition, Prof. Vaccaro and his group will continue their pioneering efforts in developing ultrasensitive methods for measuring the optical activity (optical rotatory dispersion and electronic circular dichroism) in gas-phase chiral molecules, using cavity-ringdown techniques. Hydrogen bonding is important in a number of contexts, including giving water its unique chemical and physical properties, as well as being a vital component of biomolecule interaction. Vaccaro's group will study the behavior of the hydrogen bond in a number of its guises. Vacarro's work in gas-phase chiroptical spectroscopy is providing theorists with important solvent-free measurements with which to compare with computer-based calculations of optical activity. Already, this has provided a number of important, non-intuitive, insights and will continue to do so. The students trained in the Vaccaro laboratory will be trained in modern methods of laser spectroscopy, and will be important additions to the technical workforce. Vaccaro's research group is majority female, and hence Prof. Vaccaro is contributing to an increase in the number of scientists in this particular underrepresented group.