Conformational Analysis of Cyclic and Linear Ketones and Ethers, Including Analysis of Steroids

在这个项目中，在实验物理化学计划的 贝尔将研究小分子有机物的构象， 分子使用各种光谱技术。 在一组 实验简单的线性和环状醚和酮的结构 将被确定。构象异构体之间的焓差为 使用加热阀技术测量。 在第二项研究中， 更复杂的类固醇的结构将被确定。 共振增强多光子电离与脉冲场 电离阈值光电子能谱（PFI-TPES）是两种 将用于测量Rydberg光谱的技术， 电离能 由于数据来自孤立的气相分子和液体中的分子， 相位将进行比较，这些光谱调查的结果 将提供深入了解溶剂化对光谱和结构的影响 分子的性质。 类固醇构象的数据将有助于 对生物分子的形状和结构的理解。 这些数据影响了许多领域，从对机制的理解来看， 通过生物技术方法合成材料。

In this project in the Experimental Physical Chemistry Program of the Chemistry Division, Baer will study the conformations of small organic molecules using various spectroscopic techniques. In one set of experiments the structures of simple linear and cyclic ethers and ketones will be determined. Enthalpy differences between conformers will be measured using a heated valve technique. In the second study the structure of more complex steroids will be determined. Resonance-enhanced multiphoton ionization (REMPI) and pulsed field ionization threshold photoelectron spectroscopy (PFI-TPES) are two techniques which will be used to measure the Rydberg spectra and ionization energies. %%% Since data from isolated gas-phase molecules and those in the liquid phase will be compared, the results of these spectroscopic investigations will provide insight into solvation effects on the spectra and structural properties of molecules. The data on steroid conformations will help in the understanding of the shapes and structures of biological molecules. Such data impact many fields, from the understanding of the mechanism of drug action to the synthesis of materials by biotechnological methods.