化学哲学博士-结构与机制有机化学

使用许多技术，包括自动高场FT-NMR光谱（1H，13C，19F等）和X射线晶体学在内的许多技术，在斯托尼布鲁克检查了范围广泛的有机分子的结构。分子建模程序，例如高斯和宏观模型，在彩色图形工作站上运行，以便合理化和预测所研究分子的构象和反应性。可变温度1H和13C NMR光谱用于研究客体金属离子和有机分子的大环和其他合成主体中的构象变化。VT-NMR还用于研究多胺中的质子转移以及多齿配体之间客体离子的分子间交换。立体化学探针用于检查有机反应的机理，例如周环和仿生过程。还通过在高压实验室使用反应器确定活化体
The structures of a wide range of organic molecules are examined at Stony Brook using many techniques, including automated high-field FT-NMR spectroscopy (1H, 13C, 19F, etc.) and X-ray crystallography. Molecular modeling programs, such as Gaussian and Macromodel, are operated on color graphics workstations in order to rationalize and predict the conformations and reactivities of molecules under study. Variable-temperature 1H and 13C NMR spectroscopy is used to investigate conformational changes in macrocycles and other synthetic hosts for guest metal ions and organic molecules. VT-NMR is also used to investigate proton transfer in polyamines and intermolecular exchange of guest ions between polydentate ligands. Stereochemical probes are used to examine mechanisms of organic reactions such as pericyclic and biomimetic processes. Reaction mechanisms are also studied by determining activation volumes using reactors in the high-pressure laboratory that can attain pressures higher than 200,000 psi.