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Li Dang

Associate Professor

Department of Chemistry


Academic Preparation:

1. Ph. D. in Department of Chemistry, Hong Kong University of Science and Technology, Aug. 2006 – Jan. 2010.
Supervisor: Prof. Zhenyang Lin
Thesis: Density Functional Theory Studies of Copper(I) Mediated Borylation and Carboxylation Reactions.
2. M. Sc. in College of Chemistry and Chemical Engineering, University of Xiamen, Aug. 2003 – Jun. 2006.
Supervisor: Prof. Mingdan Chen
Thesis: Theoretical Studies on Nitrogen, Cesium and Aluminum Doped Carbon Cluster Anions CnN7–(n=5~14), CnCs–(n=2~12) and CnAl2–(n=1~8).
3. B. Sc. in Department of Chemistry, University of Lanzhou, Aug. 1998 – Jun. 2002.
Working Experience:
1. Associate Professor, South University of Science and Technology China, Jun. 2013-now.
2. Postdoctor Scholar in Department of Chemisstry, Texas A&M University, Feb. 2010 –May 2013.
Supervisor: Prof. Michael B. Hall
Concentrations: Theoretical Studies on Olefin Purification Processes with Transition Metal Dithiolenes.

Academic Experience:

1. Reviewer for journals of American Chemistry Society, Royal Society of Chemistry, 2010-now.
2. Editorial Board of Scientific Reports, 2015-now.

Current Research Interests:

1. Using theoretical and computational methods to modeling new catalysis. 
2. Analyzing the catalyzed reaction mechanism by investigating the reaction energy, activation energy, electronic structures, charge distribution and molecule orbital interactions. 
3. Using QM/MM method to study the enzyme catalyzed reactions and drug protein interactions.

Grant and Funding:

1. 项目名称:二氧化碳固化转化及氢气制备、储存与释放的理论探究
起止年月:2014年12月24日 – 2016年12月23日

Honors and Awards:
Shen Zhen “Peacock Talents Award” B, 2013.
Guang Hua award of Xiamen University, 2005.
Distinguished graduate student of Lanzhou University, Lanzhou University, 2002.
First Class Award of Analytical Chemistry Competition, Lanzhou University, 2000.
Conferences Attended:
1 26th International Conference on Organometallics Chemistry, 2014, Sapporo, Japan. (Poster)
2 12th National Theoretical Chemistry Conference, 2014, Tai Yuan, China. (Poster)
3 12th Computational and Computer Chemistry Conference, 2013, Su Zhou, China. (Oral)
4 14th International Congress of Quantum Chemistry, 2012, Boulder, Colorado, USA. (Poster)
5 67th Southwest Regional ACS Meeting, 2011, Austin, Texas, US. (Oral)
6 16th IUPAC International Symposium on Organometallic Chemistry Directed Towards Organic Synthesis, 2011, Shang Hai, China. (Poster)
7 6th National Conference on Coordination Chemistry 2009, Hong Kong, China. (Poster)
8 The 5th Worldwide Chinese Theoretical and Computational Chemistry Conference (WCTCC) 2009, Xia Men, China. (Poster)
9 The 9th National Quantum Chemistry Conference 2005, Gui Lin, China. (Poster)

Invited Lectures

1 “Theoretical studies on the methods and mechanism for reaction of metal dithiolene complexes with ethylene” December 2013, Xiamen University.
1. Chen, M.*; Dang, L.; Liang, H.; Liu, M.; Zhang, Q.* "A Density Functional Study on the Structures and Energies of CnP(4)(-) (n=1 similar to 7) clusters " Acta Chim. Sinica, 2004, 62, 1669-1677. 
2. Chen, M.*; Liu, J.; Dang, L.; Zhang, Q.*; Au, C. T. "A density Functional Study on Nitrogen-Doped Carbon Clusters CnN3- (n=1-8)" J. Chem. Phys., 2004, 121, 11661-11667. 
3. Chen, M.*; Li, X.; Dang, L.; Zhang, Q.*; Au, C. T. "A Density Functional Study of Phosphor-us-doped Clusters CnP3+ (n=1-8)" J. Mol. Struct. 2005, 718, 133-140. 
4. Chen, M.*; Liu, J.; Dang, L.; Zhang, Q.*; Au, C. T.  "A Density Functional Study of the Structures and Energies of CnN5- (n=1-13) clusters" Int. J. Mass spectrom. 2007, 261, 57-67. 
5. Dang, L.; Zhao, H.; Lin, Z.*; Marder, T. B,*. "DFT Studies of Alkene Insertions into Cu-B Bonds in Copper(I) Boryl Complexes" Organometallics, 2007, 26, 2824-2832. 
6. Zhang, L.; Dang, L.; Wen, T. B.; Sung, H. H. Y.; Williams, I. D.; Lin, Z.*; Jia, G.* "Cyclometallation of 2-Vinylpyridine with MCl2(PPh3)3 and MHCl(PPh3)3 (M = Ru, Os)" Organometallics, 2007, 26, 2849-2860 .
7. Qi, J.; Dang, L.; Chen, M.*; Wu, W.; Zhang, Q.*; Au, C. T. "Density Functional Theory Study of CsCn- (n=1-10) Clusters" J. Phys. Chem. A. 2008, 112, 12456-12462. 
8. Dang, L.; Zhao, H.; Lin, Z.*; Marder, T. B.* "Understanding the Higher Reactivity of B2cat2 versus B2pin2 in Copper(I)-Catalyzed Alkene Diboration Reactions" Organometallics, 2008,  27, 1178-1186 . 
9. Zhao, H.; Dang, L.; Marder, T. B.*; Lin, Z.* "DFT Studies on the Mechanism of the Diboration of Aldehydes Catalyzed by Copper(I) Boryl Complexes" J. Am. Chem. Soc., 2008, 130, 5586-5594 . 
10. Dang, L.; Lin, Z.*; Marder, T. B.* "DFT Studies on the Borylation of Unsaturated Carbonyl Compounds Catalyzed by Phosphine Copper(I) Boryl Complexes and Observations on the Interconversions Between O- and C-Bound Enolates of Cu, B, and Si" Organometallics, 2008, 27, 4443-4454. 
11. Nienkemper, K.; Lee, H.; Jordan, R. F.* Ariafard, A.; Dang, L.; Lin, Z.*. "Synthesis of Double-End-Capped Polyethylene by a Cationic Tris(pyrazolyl)borate Zirconium Benzyl Complex" Organometallics, 2008, 27, 5867-5875 . 
12. Liu, D.; Dang, L.; Sun, Y.; Lin, Z.*; Xie, Z.* "Hydrogen-Mediated Metal-Carbon to Metal-Boron Bond Conversion in Metal-Carboranyl Complexes" J. Am. Chem. Soc., 2008, 130, 16103-16110. 
13. Dang, L.; Lin, Z.*; Marder, T. B.* "Boryl Ligands and Their Roles in Metal-Catalysed Borylation Reactions." Chem. Comm., 2009, 3987-3995. (An invited feature article) 
14. Kleeberg, C.; Dang, L.; Lin, Z.*; Marder, T. B.* "A Facile Route to Arylboronates: Room Temperature, Copper Catalyzed Borylation of Arylhalides with Alkoxydiboron Reagents" Angew. Chem. Int. Ed., 2009, 48, 5350-5354 . 
15. Dang, L.; Lin, Z.*; Marder, T. B.* "DFT Studies on the Carboxylation of Arylboronate Esters with CO2 Catalyzed by Copper(I) Complexes" Organometallics, 2010, 29, 917-927 . 
16. Liu, N. P*.; Dang, L.; Wang, Q. W.; Zhao, S. L.; Xia, F.; Ren, Y. J.*;  Gong, X. Q.; Chen, J. Q. "Perchloric Acid Catalyzed Homogeneous and Heterogeneous Addition of β-Dicarbonyl Compounds to Alcohols and Alkenes and Investigation of the Mechanism." J. Org. Chem. 2010, 75, 5017–5030 . 
17. Lee, T. Y.; Dang, L.; Zhou, Z.; Yeung, C. H.; Lin, Z.*; Lau, C. P.* "Nonclassical Ruthenium Silyl Dihydride Complexes TpRu(PPh3)(h3-HSiR3H) [Tp = Hydridotris(pyrazolyl)borate]: Catalytic Hydrolytic Oxidation of Organosilanes to Silanols with TpRu(PPh3)(h3-HSiR3H)." Eur. J. Inorg. Chem., 2010, 5675-5684. 
18. Dang, L.; Yang, X.; Zhou, J.; Shibl, M.; Brothers, E. N.*; Hall, M. B.* "Computational Studies on Ethylene Addition to Nickel Bis(dithiolene)" J. Phys. Chem. A., 2012,116, 476-482. 
19. Dang, L.; Shibl, M. F.; Yang, X.; Alak, A.; Harrison, D. J.; Fekl, U.*; Brothers, E. N.*; Hall, M. B.* "The Mechanism of Alkene Addition to a Nickel Bisdithiolene: The Role of the Reduced Metal Complex" J. Am. Chem. Soc., 2012, 134, 4481-4484.
20. Liu, B.; Gao, M.; Dang, L.; Zhao, H.*; Marder, T. B.*; Lin, Z.* "DFT Studies on the Mechanisms of the Platinum-Catalyzed Diboration of Acyclic α,β-Unsaturated Carbonyl Compounds" Organometallics 2012, 31, 3410-3425.
21. Dang, L.; Shibl, M. F..; Yang, X.; Harrison, D. J.; Alak, A.; Lough, A. J.; Fekl, U.*; Brothers, E. N.*; Hall, M. B.* "Apparent Anti-Woodward–Hoffmann Addition to a Nickel Bis(dithiolene) Complex: The Reaction Mechanism Involves Reduced, Dimetallic Intermediates" Inorg. Chem. 2013, 52, 3711-3723.
22. Shibl, M. F. ; Dang, L. ; Raju, R. K. ; Hall, M. B. * Brothers, E. N.* "A mechanism for the addition of ethylene to nickel bis-dithiolene" Int. J. Quant. Chem. 2013, 113, 1621-1625.
23. Dang, L.*; Ni, S. F.; Hall, M. B.; Brothers, E. N. "Uptake of One and Two Molecules of 1,3-Butadiene by Platinum Bis(dithiolene): A Theoretical Study" Inorg. Chem. 2014, 53, 9692-9702.
24. Li, M.-D.; Dang, L.*; Liu, M.; Du, L.; Zheng, X.; Phillips, D. L.* "Ultrafast Time Resolved Spectroscopic Studies on the Generation of the Ketyl-Sugar Biradical by Intra-molecular Hydrogen Abstraction Among Ketoprofen and Purine Nucleoside Dyads". J. Org. Chem. 2015, 2015, 80, 3462-3470.
25. Pietsch, S.; Neeve, E. C.; Apperley, D.C.; Bertermann, R.; Mo, F.; Qiu, D.; Cheung, M. S.; Dang, L.; Wang, J.; Radius, U.; Lin, Z.; * Kleeberg, C.; * Marder, T. B.* "Synthesis, Structure and Reactivity of Anionic sp2-sp3 Diboron Compounds: Readily Accessible Boryl Nucleophiles" Chem. Eur. J. 2015, 21, 7082-7099.
26. Zhou, M. -J.; Li Y.; Dang, L.* "Theoretical Studies on Thiourea-Cinchona-Amine Catalyzed Michael Addition Reaction Mechanism: Triple Activation" Asian J. Org. Chem., 2015, Accepted.
27. Ni, S.- F.; Dang L.* "Insight into the Outer Coordination Sphere Effect on Rh(diphosphine)2+ Catalyzed CO2 Hydrogenation" Submitted to JACS.

Research Fields

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