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

环状和线性酮和醚的构象分析，包括类固醇的分析

• 批准号: 9409144
• 负责人: Tomas Baer
• 金额: $ 36.5万
• 依托单位: University of North Carolina at Chapel Hill
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1994
• 资助国家: 美国
• 起止时间: 1994-08-01 至 1998-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9409144&HistoricalAwards=false
• 关键词: Conformational; Analysis; Cyclic; Linear; Ketones

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.

在化学部实验物理化学计划的这个项目中，贝尔将使用各种光谱技术研究有机小分子的构象。在一系列实验中，将确定简单的线型和环型醚和酮的结构。异构体之间的热差将使用加热阀技术进行测量。在第二项研究中，将确定更复杂的类固醇的结构。共振增强多光子电离(REMPI)和脉冲场电离阈值光电子能谱(PFI-TPES)是测量里德堡光谱和电离能的两种技术。%由于分离的气相分子和液态分子的数据将进行比较，这些光谱研究的结果将有助于深入了解溶剂化对分子光谱和结构性质的影响。关于类固醇构象的数据将有助于理解生物分子的形状和结构。这些数据影响了许多领域，从药物作用机制的理解到利用生物技术方法合成材料。