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

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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.