Effect of Solvation and Hydrogen Bonding on Conformationally Fexible Molecules

绿色保龄球州立大学的约翰凯布尔是由 研究氢键的实验物理化学计划 在各种芳族分子之间形成的1：1簇中， 水或氨。 这些研究集中在构象柔性 分子;通过改变芳族部分，空间位阻的影响 氢键相互作用的结构扭曲 考察 质量选择共振增强电离光谱和 在超音速喷嘴中扩展的团簇的分散荧光 将被用来产生信息的激发和地面电子 国，分别。 一个相关的理论研究包括模拟 的观察到的能量水平的孤立和集群的溶质， 详细的结构扰动特征化， 从氢键。 这些调查的结果将提供 更详细地了解影响强度的因素 氢键以及共轭溶质的电子性质 分子可以通过结构变形来调节， 氢键的相互作用。 氢键在化学中起着重要的作用，从强 影响溶剂的物理性质，以确定 生物大分子的结构。 虽然远弱于 在普通的共价键和离子键中，氢键至关重要。 分子识别过程的重要性， 生物系统。 这些研究将增进对 与蛋白质和核酸相关的常见氢键类型 acids.

John Cable of Bowling Green State University is supported by the Experimental Physical Chemistry Program to investigate hydrogen bonding in 1:1 clusters formed between various aromatic molecules and either water or ammonia. These studies concentrate on conformationally flexible molecules; by varying the aromatic moiety, effects of steric hindrance and structural distortion on the hydrogen bonding interaction will be examined. Mass-selected resonance enhanced ionization spectroscopy and dispersed fluorescence of the cluster expanded in a supersonic nozzle will be used to yield information on the excited and ground electronic states, respectively. A related theoretical effort involves simulations of the observed energy levels of isolated and clustered solutes for chararacterization of the detailed structural perturbations resulting from hydrogen bonding. The results of these investigations will provide a more detailed understanding of the factors that affect the strength of a hydrogen bond and how the electronic properties of a conjugated solute molecule can be modulated by structural distortion in order to optimize the hydrogen bonding interaction. Hydrogen bonding plays an important role in chemistry, from strongly influencing the physical properties of solvents to determining the structures of biological macromolecules. Although much weaker than ordinary covalent and ionic bonds, hydrogen bonds are of crucial importance to the molecular recognition processes that are significant in biological systems. These studies will improve the understanding of the common types of hydrogen bonds that are relevant to proteins and nucleic acids.