ChemLife Seminar - Dr. Hadas Shalit - postponed to 29.2.24

The lecture is postponed to 29/2/24 due to illness of the lecturer.

ChemLife Seminar

Thusday 29/2/24 at 12:00 AM

Location: Chemistry hall 112

 

A Mechanistically Driven Approach to Investigating Chemical Reactions in Organic Chemistry

Dr. Hadas Shalit

Ben-Gurion University, Israel

 

Abstract

The oxidative cross-coupling between two unfunctionalized phenolic units represents a highly appealing method for preparing unsymmetrical biaryl compounds. The reaction involves the generation of highly reactive phenoxyl radical intermediates, therefore, controlling the chemoselectivity (cross-coupling vs. homocoupling), site-selectivity (ortho-ortho, para-para, orthopara, etc.) and stereoselectivity of the coupling is highly challenging. In this talk, our approach to addressing the inherent selectivity challenges by adopting a mechanistically driven strategy will be discussed. This approach led to the development two novel complementary iron-based catalytic systems, each operating via distinct mechanisms. By navigating between these systems, we achieved selective formation of versatile biphenolic cross-coupling products.

The chemistry community is currently witnessing a surge of scientific discoveries in organic chemistry supported by machine learning (ML) techniques. Whereas many of these techniques were developed for big data applications, the nature of experimental organic chemistry often confines practitioners to small datasets. Nowadays, my main focus has shifted to exploring chemical reactions and mechanisms by harnessing the power of machine-learning oxidative crosscoupling Cross-coupling products Mechanistic understanding Reliable productive selective platform 01 02 03 models to study the relationship between molecular structure and chemical reactivity and selectivity. Specifically, in the area of N-Heterocyclic Carbene (NHC) triazolium salts in organo-catalytic transformations.

תמונת ההודעה

Abstract (pdf)

Looking forward to seeing you!

Last Updated Date : 14/02/2024