Donor-Acceptor Ligands – Bonding Partners in Crime

报告人：Nicole（中科院深圳先进技术研究院）

报告时间：2019年12月18日（星期三）上午10:00

报告地点：浦江楼302会议室

报告摘要：

Ligands are widely known for stabilizing metallic coordination centers. But ligands can do more than that: they significantly influence the electronic structure of a coordination center and the complex. We have studied dimeric group-13 complexes stabilized by NHCs and phosphine ligands and carried out bonding analysis studies. We found that the dative bonding of the ligands and the shift of electron density both from the ligand to the central dimer, but also back from the stabilized moiety to the ligands has significant impact on the dimeric bond and on the structure of the overall complex. Furthermore, we analyzed the effect of phosphine ligands on the photochemistry and on the catalytic conversion in water soluble Ruthenium catalysts.

报告人简介：

Nicole studied chemistry at the universities Darmstadt, Bristol and Marburg. In 2013, she did her PhD in Theoretical Chemistry with Prof. Gernot Frenking working on DFT bonding analyses of main-group complexes as potential hydrogen storage systems. She did postdoc at the Université de Lorraine in France in the group of Prof. Chris Chipot and Dr. François Dehez, and later at the Science and Technology Facilities Council (STFC) in the UK. She is now an associate professor at the Shenzhen Institute of Advanced Technology in the group of Prof. Shuguang Yuan, she will contribute to the Drug Discovery process with her experience in quantum and molecular mechanics. Furthermore she wants to drive forward structure analysis of GPCRs by neutron scattering.