【学术报告】Oriented Electric Fields as Future Smart Reagents in Chemistry

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  • 星期五
  • 11 月17日

报告题目:Oriented Electric Fields as Future Smart Reagents in Chemistry

报告人:  Prof. Sason Shaik
          The Hebrew University of Jerusalem, Israel

时间:    11月17日(周五)上午9:00-10:30

地点:    卢嘉锡楼202报告厅

以下是报告的摘要部分:

Abstact:
    Oriented external-electric-fields (OEEFs) as “smart reagents” are no longer a theoretical dream. The talk discusses the wide-ranging potential of using OEEFs to catalyze and control a variety of non-redox reactions and impart selectivity at will.[1] An OEEF along the direction of electron reorganization, the so-called “reaction axis”, will catalyze nonpolar reactions, control regioselectivity and induce spin-state selectivity. Simply flipping the direction of the OEEF or orienting it off of the reaction-axis, will control at will, the endo/exo ratio in Diels-Alder reactions and steps in enzymatic catalytic cycles. The talk will try to highlight these outcomes using theoretical results for H-abstraction reactions, epoxidation of double bonds, C-C bond making reactions, proton transfers, and the cycle of the enzyme cytochrome P450, as well as recent experimental data. We postulate that, as experimental techniques mature, chemical syntheses may become an exercise in zapping oriented molecules with OEEFs!

  [1] S. Shaik, D. Mandal, R. Ramanan, Nature Chem. 8, 1091 (2016).

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化学化工学院
2017年11月14日