Laser Spectroscopy of Ions and Clusters

加州大学伯克利分校的Richard Saykally获得了化学部化学结构、动力学和机制项目的支持，以进一步开发和扩展他对小水团簇的高精度太赫兹振动-旋转-隧道(VRT)光谱测量。这些测量的结果正被用来校准和测试新的理论方法，以实现水的“普遍第一原理”模型的目标。Saykally教授和他的研究小组专注于对二聚体-六聚体水团簇的同位素异构体的完整表征，以开发和验证复杂的人-体相互作用的理论描述，这些相互作用对凝聚相中的水非常重要。他们还将这些方法扩展到处理更大的后来的星系团、质子化水星团和含氮、氧和碳氢化合物的水星团。由于水是地球上一种无处不在的物质，对生命的存在也至关重要，因此了解它的内在性质以及它与其他物质的相互作用是很重要的。准确的水模型对于正确计算许多生物结构和功能以及理解全球变暖等关键环境问题至关重要。虽然在开发这些模型方面已经取得了很大进展，但对于许多重要的应用来说，它们仍然不够准确。国际环保协会积极透过公众讲座、传媒及其他场合，加深公众对水的认识。本科生、研究生和博士后研究人员，包括许多女性，都参与了这项研究计划。

Richard Saykally of the University of California, Berkeley is supported by an award from the Chemical Structures, Dynamics and Mechanisms program in the Chemistry Division to further develop and extend his high precision Terahertz vibration-rotation-tunneling (VRT) spectroscopy measurements of small water clusters. Results from these measurements are being used to calibrate and test new theoretical approaches in order to achieve the goal of a "universal first-principles" model of water. Professor Saykally and his research group focus on the complete characterization of the isotopomers of dimer-hexamer water clusters to develop and validate theoretical descriptions of the complicated man-body interactions that are important for water in the condensed phases. They are also extending these approaches to treat larger later clusters, protonated water clusters, and clusters of water with nitrogen oxygen and hydrocarbons. Because water is such a ubiquitous substance on our planet as well as crucial for the existence of life, it is important to understand its intrinsic nature as well as its interaction with other substances. An accurate model of water is crucial for proper calculation of many biological structures and functions, as well as for understanding critical environmental issue such as global warming. While great advances have been made in developing these models, they are still not accurate enough for many important applications. The PI actively reaches out to increase the public understanding of the nature of water through public lectures, the media and other venues. Undergraduates, graduate students and postdoctoral researchers, including many women, take part in this research program.