Chemistry seminar 5.5


3:00 PM - 5:00 PM

SC140 (onsite)  and


Time: 03:00pm-05:00pm

Date: 5 May, 2023

Format: Onsite & online

Venue:SC140 (onsite)  and

Lecturer: Dr. Xiaotai Wang

Title: In Silico Organometallic Chemistry: Structures and Catalysis


We use computational tools to design novel organometallic molecules and study organometallic catalysis. We seek to address the experimental–theoretical synergy and gain new insights and ideas that can aid and guide experimental work. In this seminar, I will discuss the design of zero- and low- valent metal-metal bonded complexes, as well as the mechanisms of transition metal-catalyzed synthetically useful organic reactions, including stereoselective olefin metathesis, ligand-promoted C–H activation, and C–C cross-coupling.


  1. Zhao, X.; Zhang, D.;* Wang, X.* ACS Catal. 2022, 12, 1809–1817.
  2. Wang, X.; Ma, G.; Peng, Y.; Pitsch, C. E.; Moll, B. J.; Ly, T. D.; Wang, X.;* Gong, H.* J. Am. Chem. Soc. 2018, 140, 14490–14497.
  3. Guo, J.; Zhang, D.; Wang, X.* ACS Catal. 2020, 10, 13551–13559.
  4. Yuan, C.; Zhao, X.-F.; Wu, Y.-B.;* Wang, X.* Angew. Chem. Int. Ed. 2016, 55, 15651–15655.


Dr. Wang received his PhD in chemistry from the University of Virginia in 1994. After three years of postdoc research at the University of Utah and Iowa State University, he started his independent career at the University of Colorado Denver, moving up the ranks of assistant professor, associate professor (tenured), and professor (tenured). He was a visiting professor at MIT, the Chinese Academy of Sciences, Shanxi University, and the Hoffmann Institute of Advanced Materials in Shenzhen. Dr. Wang joined Xi'an Jiaotong- Liverpool University (XJTLU) as a professor of chemistry in November 2022.

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