High Resolution Infrared Spectroscopy of Hydrogen Bonded andvan der Waals Complexes

戴克博士将采用红外线实验方法 吸收光谱学 二极管激光器将用于研究 光谱范围为350 - 3500 cm.，既使用 分子束和静态气体样品，以提供不同程度的 简单性和所观察到的光谱中的信息含量。 微波-红外双共振技术将用于 增加光谱分辨率并帮助指定光谱。 到 进入350厘米以下的重要光谱区域，远 高灵敏度红外傅里叶变换光谱仪 探测器将被采用，允许许多低频 配合物的分子间模式直接检查。 具体 待研究的系统包括含氢二聚物和混合的 单体的复合物。 氢键和货车范德华力中的分子间力 相互作用在决定一个物体的性质方面起着重要的作用。 各种凝聚相和高分子体系。 理论 液态水，水溶液和高分子构象的 这些相互作用特别令人感兴趣的领域的例子。 为了了解这些系统，需要准确的信息， 分子间势能面是至关重要的。 一种攻击方式 这个问题是形成通过氢键结合在一起的复合物， 货车范德华相互作用，并研究他们的各种光谱 技术. 如果有足够的光谱数据， 关于相关势能面的信息可以是 获得，并在可用时，结合散射或热力学 数据，以更全面地了解分子间力， 这些弱相互作用的本质。

The experimental method to be employed by Dr. Dyke will be infrared absorption spectroscopy. Diode lasers will be used to study the spectral region from 350 - 3500 reciprocal cm., utilizing both molecular beams and static gas samples to provide varying degrees of simplicity and information content in the observed spectra. Microwave-infrared double resonance techniques will be used to increase the spectral resolution and to aid in assigning spectra. To access the important spectral region below 350 recoprocal cm., a far infrared Fourier transform spectrometer with high sensitivity detectors will be employed, allowing many of the low frequency intermolecular modes of complexes to be directly examined. Specific systems to be studied include hydrogen-containing dimers and mixed complexes of monomers. Intermolecular forces manifested in hydrogen bonds and van der Waals interactions play an important part in determining the properties of a wide variety of condensed phase and macromolecule systems. Theories of liquid water, aqueous solutions and macromolecule conformations are examples of areas where these interactions are of particular interest. To understand these systems, accurate information concerning intermolecular potential energy surfaces is vital. One way to attack this problem is to form complexes held together by hydrogen bonds or van der Waals interactions, and to study them by various spectroscopic techniques. If enough spectroscopic data is in hand, substantial information about the relevant potential energy surfaces can be gained, and when available, combined with scattering or thermodynamic data to give a more comprehensive view of intermolecular forces and the nature of these weak interactions.