High Resolution Infrared Spectroscopy of Hydrogen Bonded andvan der Waals Complexes

戴克博士将采用的实验方法是红外吸收光谱分析。半导体激光器将被用来研究350-3500倒数厘米的光谱区域，利用分子束和静态气体样品来提供不同程度的简单性和观测光谱中的信息含量。将使用微波-红外双共振技术来提高光谱分辨率，并帮助分配光谱。为了获得350 cm以下的重要光谱区，将使用具有高灵敏度探测器的远红外傅里叶变换光谱仪，从而能够直接检查络合物的许多低频分子间模式。要研究的具体体系包括含氢二聚体和单体的混合络合物。氢键和范德华相互作用所表现出的分子间力在决定各种凝聚相和大分子体系的性质中起着重要的作用。液态水、水溶液和大分子构象理论是这些相互作用特别令人感兴趣的领域的例子。为了理解这些体系，关于分子间势能面的准确信息是至关重要的。解决这一问题的一种方法是通过氢键或范德华相互作用形成络合物，并用各种光谱技术对其进行研究。如果手头有足够的光谱数据，就可以获得有关相关势能面的大量信息，如果有的话，可以结合散射或热力学数据来更全面地了解分子间力和这些弱相互作用的性质。

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.