Laser Spectroscopy of Ions and Clusters

Richard Saykallly教授通过这项更新建议，为他对离子和水团簇激光光谱的研究寻求支持。这项拟议的研究将通过对预计在500厘米-1附近看到的平面振动进行表征和建模，来提炼和扩展水二聚体的潜力。然后，精炼的二聚体势将被用于计算水三聚体中的三体相互作用。然后，这些势能将与伯克利的大卫·钱德勒团队合作，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。改进的液态水和水溶液溶剂化模型将对蛋白质结构和其他生物分子的建模产生影响。在分子物理和凝聚态化学中，更多地了解液态水仍然是一个重要的悬而未决的问题。

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.