主讲嘉宾：彭谦教授 南开大学化学学院

讲座主持：方岩雄院长

讲座时间：2017年12月22号（周五）15:00-16:30

讲座地点：工四-202

主讲人简介

彭谦教授，美国University of Notre Dame，博士后。历任美国Texas A&M University研究员，英国University of Oxford玛丽居里研究员。现任南开大学元素有机化学研究所研究员，博士生导师。曾入选国家青年高层次人才（2017年）、天津市青年高层次人才（2017年）、欧盟玛丽居里奖金（2014年）等人才计划和项目。曾获国家自然科学二等奖和上海市自然科学一等奖各1项（2014年和2013年，均为第5完成人），Nature Chemistry”口头报告奖（2016年）等奖项。

报告摘要

Demand for higher efficiency, economy, and selectivity in the synthesis of novel molecular scaffolds drives organic chemistry. The development of modular chiral ligands has led to the discovery of several transition metal:ligand complexes that catalyze various reactions with impressive levels of enantioselectivity. However, discovery of the appropriate chiral ligands for a desired transformation remains a formidable task. This is especially true for reactions where detailed mechanistic data are yet to be uncovered. Computational understanding of the mechanism of catalyst-control can lead to improved understanding and guide synthetic effort.¹

Through computational quantum chemistry we have explored how the structural elements of the phosphoramidite ligand affect catalyst structure and selectivity in Rh-catalysed asymmetry cycloisomerization^2aand Cu-catalysed conjugate additions^2b. Elucidation of the important interactions has been achieved by studying the effects of ligand-structural variation on both the catalyst structure and resulting enantioselectivity, through a combination of experimental and theoretical techniques. These studies illustrate the ability of quantitative structure-selectivity relationships to provide both models for asymmetric induction and catalyst structural hypotheses that may be further probed by experiment and computation. Collectively, such an approach leads to the rational modification/simplification of chiral ligands for more effective catalysts.