Time-Resolved Spectroscopic Studies of Hydrogen-Bonded Molecular Complexes

匹兹堡大学的大卫沃尔德克教授得到了 从理论和计算化学计划拨款， 继续他的研究，包括时间分辨光谱研究， 氢键分子复合物。 沃尔德克之前的工作 用光学外差法测量转动扩散 偏振光谱和荧光去偏振。 当前 项目扩展了这项工作，以获得更深入的了解动态 氢键复合物和分子间键合。 他将使用 相同的实验技术，偏振光谱和荧光 去极化，研究氢键的迁移率和灵活性 客体分子作为结合焓和拓扑结构的函数。 实验研究将在各种主/客体系统上进行 在非缔合但偶极的有机溶剂中， 和二甲基亚砜，并与理论进行了比较。 校长 研究的目的是了解如何的立场和力量， 氢键决定了分子间氢的柔韧性 键合复合物，并获得更深入的了解的动力学 这样的情结。 这些研究很重要，因为它们应该阐明 动力学在化学和生物学中很重要。 在生物学中， 客体分子在主体中的柔性可能是关键的 对生物分子的结合和酶的重要性 活动 在化学中，发生在一个 当分子部分在电势中移动时， 是理解溶剂对分子动力学影响的核心。 化学反应 沃尔德克正在进行的研究将有一个 直接关系到这些更大、更复杂的问题。

Professor David Waldeck, University of Pittsburgh, is supported by a grant from the Theoretical and Computational Chemistry Program to continue his research involving time-resolved spectroscopic studies of hydrogen-bonded molecular complexes. Waldeck's prior work involved measurements of rotational diffusion using optically heterodyned polarization spectroscopy and fluorescence depolarization. The current project extends this work to obtain a deeper understanding the dynamics of hydrogen bonded complexes and intermolecular bonding. He will use the same experimental techniques, polarization spectroscopy and fluorescence depolarization, to study the mobility and flexibility of hydrogen bonded guest molecules as a function of binding enthalpy and topology. Experimental studies will be conducted on a variety of host/guest systems in unassociated but dipolar organic solvents such as trichloro methane and dimethyl sulphoxide, and comparisons made with theory. The principal goal of the research is to understand how the position and strength of hydrogen bonds determine the flexibility of intermolecular hydrogen bonded complexes, and to gain a deeper understanding of the dynamics of such complexes. These studies are important because they should elucidate aspects of dynamics which are important in chemistry and biology. In biology, the flexibility of a guest molecule in a host is likely to be of critical importance for the binding of biological molecules and for enzyme activity. In chemistry, the frictional coupling which occurs between a molecular moiety and a solvent when the moiety is moving in a potential is at the core of understanding the dynamical influence of a solvent on a chemical reaction. The studies being undertaken by Waldeck will have a direct bearing on these larger and more complex issues.