Projects per year
Personal profile
Personal profile
Dr. Xiaiotai Wang joined Xian Jiaotong-Liverpool University (XJTLU) as a professor of chemistry in November 2022. He had previously worked at the University of Colorado Denver, moving up the ranks of assistant professor, associate professor (tenured), and professor (tenured). He was a visiting professor/scholar at MIT, the Chinese Academy of Sciences, Shanxi University, and the Hoffmann Institute of Advanced Materials in Shenzhen. Working at XJTLU, a unique international university in China, Dr. Wang aims to cultivate future generations of scientists and world citizens.
Dr. Wang’s PhD and postdoc work were concerned with the synthesis and reactivity of organometallic complexes. Among the new compounds he created was a hexadecker molecular sandwich complex (JACS 1994, 116, 2687), which has been written into several inorganic chemistry textbooks. After beginning his independent career, Dr. Wang studied the synthesis and properties of metal-organic frameworks (MOFs), and his group reported the first lanthanide-carboxylate MOF capable of selectively adsorbing CO2 over N2 (JACS 2003, 125, 3062). This ground-breaking work has been cited 720 times so far (Google Scholar). Dr. Wang’s current research interests are mostly in computational organometallic chemistry, with a focus on elucidating the mechanisms of transition metal-catalyzed reactions useful for organic synthesis. Research in this direction addresses the experimental–theoretical synergy and provides ideas and insights for new reaction development (see publications under Research output).
Dr. Wang is currently accepting PhD and Master’s students as well as undergraduate research students. Those interested please contact Dr. Wang by email (Xiaotai.Wang@xjtlu.edu.cn).
Research interests
Computational studies of efficient and sustainable transition metal catalysis for organic and materials synthesis, both independently and in collaboration with experimental groups
Synthesis and properties of functional materials: metal-organic frameworks (MOFs)
Experience
Postdoc, University of Utah, 1994.11-1996.4
Postdoc, Iowa State University, 1996.4-1997.7
Asst, Assoc, Full Professor, University of Colorado Denver, 1997-2022
Visiting Scholar, MIT, 2004
Visiting Professor, University of the Chinese Academy of Sciences, 2011-2012
Visiting Professor, Hoffmann Institute of Advanced Materials (Shenzhen), 2019-2021
Teaching
Introductory Inorganic Chemistry
Advanced Inorganic Chemistry
Inorganic Applications of Group Theory
Education/Academic qualification
PhD, University of Virginia, 1995.1
MS program, University of Science and Technology of China, 1987-1990
BS, Hefei Normal University, 1987
Research areas
- Organometallic Chemistry
- Inorganic Chemistry
- Computational Chemistry
Keywords
- QD Chemistry
- Reaction Mechanisms
- Density Functional Theory (DFT ) Studies
- Catalyst Design
- Experiment-Theory Synergy
- Transition Metal Catalysis
- Earth-Abundant Metals (EAMs)
- Sustainable Catalysis with EAMs
- C-C Bond Formation
- C-Heteroatom Bond Formation
- C-H Bond Activation
- C-F Bond Activation
- Cross-Electrophile Coupling
Person Types
- Staff
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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SDG 3 Good Health and Well-being
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SDG 9 Industry, Innovation, and Infrastructure
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SDG 12 Responsible Consumption and Production
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Collaborations and top research areas from the last five years
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Sustainable Nickel Catalysis: Computational Study of Redox Coupling of C(sp3)-H Bonds with Aryl Halides
Wang, X. (PI)
1/09/24 → …
Project: Internal Research Project
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Computational Study of Sustainable Nickel Catalysis: Mechanisms of Carbon Radicals Formation and C(sp3)–C(sp3) Reductive Cross-Coupling Reactions
Wang, X. (PI)
1/09/23 → …
Project: Internal Research Project
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Suzhou Industrial Park High Quality Innovation Platform of Functional Molecular Materials and Devices
Liu, C. (Team member), Lu, Q. (Team member), Papadikis, K. (Team member), Choi, H. (Team member), Lin, Y. (Team member), Xue, X. (Team member), Huang, X. (Team member), Ding, M. (Team member), Wang, X. (Team member), Zhang, Q. (Team member), JIN, X. (Team member), Matziari, M. (Team member), Ding, L. (Team member), Li, D. (Team member), Dennis, J. (Team member), Dong, Q. (Team member), 张开周 (Team member), 由冬琦 (Team member), 郜明文 (Team member) & Yang, L. (PI)
1/09/23 → 30/08/26
Project: Governmental Research Project
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Sustainable Catalysis with Titanium: Mechanistic Study of Ti-Catalyzed Cyclopropanation of Carboxylic Compounds with Alkenes
Wang, X. (PI)
1/07/24 → 30/06/26
Project: Internal Research Project
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Cobalt-Catalyzed Highly Enantioselective Hydrogenation of Quinolines under Mild Conditions
Zhang, M., Liu, L., Wang, C., Yang, Y., Wang, X., Xiao, J. & Tang, W., 24 Mar 2026, In: Journal of the American Chemical Society. 148, 13, p. 14309–14319 11 p.Research output: Contribution to journal › Article › peer-review
2 Citations (Scopus) -
Stereoselective Access to Tetrasubstituted Alkenylboronates via Cobalt-Catalyzed, Regiodivergent syn-Borylfunctionalization of Internal Alkynes
Ma, H., Cheng, K., Yi, W., Zi, L., Geng, M., Wang, Y., Wang, X. & Zhu, S., 14 May 2026, In: Journal of the American Chemical Society.Research output: Contribution to journal › Article › peer-review
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A Unified Approach to Chiral α-Aryl Ketones and Aldehydes via Ni-Catalyzed Asymmetric Reductive Cross-Coupling
Qiu, C., Liu, L., Zhang, K., Du, S., Chen, Y., Wang, X. & Gong, H., 8 May 2025, In: Journal of the American Chemical Society. 147, p. 17251–17259 9 p.Research output: Contribution to journal › Article › peer-review
6 Citations (Scopus) -
B2Pin2-Enabled Reductive Thioesterification of Aryl Triflates with Thiocarbonates
Shi, H., Wu, F., Zhu, W., Shen, H. C., Xu, S., Wang, X. & Gong, H., 18 Sept 2025, In: Chemical Communications. 4 p.Research output: Contribution to journal › Article › peer-review
1 Citation (Scopus) -
DFT Study of Nickel-Catalyzed Regio- and Enantioselective Hydroalkoxylation of 1,3-Dienes with Methanol: Inner-Sphere versus Outer-Sphere Mechanisms
Zhao, X., Xia, Y. & Wang, X., 10 Jul 2025, In: Organic Chemistry Frontiers.Research output: Contribution to journal › Article › peer-review
1 Citation (Scopus)
Activities
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Inorganic Chemistry (Journal)
Wang, X. (Reviewer)
7 Aug 2026Activity: Peer-review and editorial work of publications › Publication Peer-review
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Inorganic Chemistry (Journal)
Wang, X. (Reviewer)
24 May 2026Activity: Peer-review and editorial work of publications › Publication Peer-review
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Inorganic Chemistry (Journal)
Wang, X. (Reviewer)
18 Apr 2026Activity: Peer-review and editorial work of publications › Publication Peer-review
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Ni-Catalyzed Regioselective Alkene Hydroarylation: Is It Carbonickelation or Hydronickelation?
Wang, X. (Speaker)
14 Apr 2026Activity: Talk or presentation › Presentation at conference/workshop/seminar
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Inorganic Chemistry (Journal)
Wang, X. (Reviewer)
22 Mar 2026Activity: Peer-review and editorial work of publications › Publication Peer-review