Laser Spectroscopy of Ions and Clusters

Richard Saykallly教授在离子和水簇的激光光谱研究方面寻求支持。拟议的研究将通过表征和建模预计在500 cm-1附近看到的平面外振动，来完善和扩展水二聚体的潜力。精化二聚体势将用于计算水三聚体中的三体相互作用。然后，这些潜力将与伯克利的大卫·钱德勒小组合作，用于先进的散装水模拟。其他方面，如（H2O）8的实验检查，水合质子团簇，液态水的EXAFS和核苷酸碱基水合物将进行实验检查。液态水和水溶液溶剂化模型的改进将对蛋白质结构和其他生物分子的建模产生影响。在分子物理学和凝聚态化学中，对液态水的进一步了解仍然是一个重要的未解决的问题。

With this Renewal proposal, Professor Richard Saykallly seeks support for his research on laser spectroscopy of ions and water clusters. The proposed research will refine and extend the water dimer potential, by characterizing and modeling out of plane librational vibrations expected to be seen near 500 cm-1. The refined dimer potential will then be used to calculate three-body interactions in the water trimer. These potentials will then be used for advanced bulk water simulations, in collaboration with David Chandler's group at Berkeley. Additional aspects, such as experimental examination of (H2O)8, hydrated proton clusters, EXAFS of liquid water, and nucleotide base hydrates will be examined experimentally. Improved models for liquid water and aqueous solvation will have impact in the modeling of protein structures and other biological molecules. A greater understanding of liquid water remains an important unsolved problem in molecular physics and condensed matter chemistry.