Faculty

Wang, Xin     


Research direction: Molecular Design and Simulation on Materials; Mechanism of Organic Catalytic Reaction

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Education and Academic Career:

1993.9-1997.7: B.S. of Chemistry, Department of Chemistry, Sichuan Normal University, Chengdu, China.

1997.9-2002.7: Ph. D. of Physical Chemistry, Department of Chemistry, Sichuan University, Chengdu, China, (Supervisor: Professor Anmin Tian).

2002.7-2004.9: Postdoctoral Fellow, School of chemistry and Chemical Engineering, Nanjing University, Nanjing, China, (work with Professor Yuansheng Jiang and Professor Shuhua Li).

2004.9-2014.6: Assistant Professor, College of Chemistry, Sichuan University, Chengdu, China.

2014.7-present: Professor, College of Chemistry, Sichuan University, Chengdu, China.

2007, 1–4, 7–9; 2008,7–10; 2010, 1–3; 2010,7–10; 2011,1-3; 2012,7-9; 2013,1-3

Research Fellow, Chinese University of Hong Kong, City University of Hong Kong, Hong Kong, China. (Work with Professor Wai-Kee Li and Professor Kai-Chuang Law).

Research Interests

Prof. Xin Wang’s research interest focus on molecular dynamics investigations on the structures and properties of materials such as bioceramic materials, energetic materials, and organic semi-conductive materials. He is also interested with the investigations on the mechanism of organic catalytic reaction using theoretical methods.

Selected Publications

1. Y.-H. Wang, J.-S. Tian, P.-W. Tan, Q. Cao, X.-X. Zhang, Z.-Y. Cao, F. Zhou, X. Wang*, and J. Zhou*. Regiodivergent Intramolecular Nucleophilic Addition of Ketimines for the Diverse Synthesis of Azacycles. Angew. Chem. Int. Ed. 2020, 59, 1634 –1643.

2. P.-G. Ding, F. Zhou, X. Wang*, Q.-H. Zhao, J.-S. Yu and J. Zhou*. H-Bond donor-directed switch of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins. Chem. Sci. 2020, 11, 3852–3861.

3. X.-Y. Zhao, Z. Y. Xue, X. Wang*, K. F. Wang*, D. G. Xu, Molecular Docking and Molecular Dynamics Simulation Studies on Adsorption/Desorption Behavior of Bone Morphogenetic Protein-7 on β-Tricalcium Phosphate Surface. Phys. Chem. Chem. Phys. 2020, 22, 16747—16759.

4. C. F. Hu, Z. Y. Xue, X. Wang*, D. G. Xu*, Molecular Dynamics Exploration of the Amorphous Surface Structure and Properties of the Biomimetic β-Tricalcium Phosphate, Appl. Surf. Sci., 2019, 484, 72-82.

5. L. Wang, F. Yang, X. Y. Zhao, L. Huang, D. J. Gao, J. Bi,* X. Wang*, and Guohong Zou*, Rb3SbF3(NO3)3: an excellent antimony nitrate nonlinear optical material with a strong second harmonic generation response fabricated by a rational multi-component design, Dalton Trans., 2019, 48, 15144–15150.

6. Q. Wang, L. Wang, X. Y. Zhao, L. Huang,* D. J. Gao, J. Bi, X. Wang*, and Guohong Zou*, Centrosymmetric K2SO4·(SbF3)2 and noncentrosymmetric Rb2SO4·(SbF3)2 resulting from cooperative effects of lone pair and cation size, Inorg. Chem. Front., 2019, 6, 3125-3132.

7. Q. Xie, Z. Y. Xue, H. J. Gu, C. F. Hu, M. L.Yang, X. Wang*, D. G. Xu*, Molecular Dynamics Exploration of Ordered-to-Disordered Surface Structures of Biomimetic Hydroxyapatite Nanoparticles, J. Phys. Chem. C 2018, 122, 6691−6703.

8. Z. Q. Tao, X. Wang*, Y. Wei, L. Lv, M. Yang* A theoretical study of molecular structure, optical properties and bond activation of energetic compound FOX-7 under intense electric fields, Chem. Phys. 2017, 483–484, 122–131.

9. Y. Wei, X.Q. Wang, X. Wang*, Z. Q. Tao, Y.Q. Cui, M. Yang* A theoretical study of the activation of nitromethane under applied electric fields, RSC Adv. 2016, 6, 24712–24718.

10. Y. Shang, C.C. Sun, G.L. Zhang*, Z. D. Yang, X. Wang* Electronic and transport properties of [V(Bz)2]n@SWCNT and [V(Bz)2]n@DWCNT nanocables,  RSC Adv. 2016, 6, 44041–44049.

11. X.-P. Zeng, Z.-Y. Cao, X. Wang, L. Chen, F. Zhou, F. Zhu, C.-H. Wang, J. Zhou* Activation of chiral (Salen)AlCl complex by phosphorane for highly enantioselective cyanosilylation of ketones and enones,

J. Am. Chem. Soc. 2016, 138, 416-425.

12. Yu, J.-S; Liu,Y.-L.; Tang, J. Wang, X .*, Zhou, J.* Highly Efficient “On Water” catalyst-free nucleophilic addition reactions using difluoroenoxysilanes: dramatic fluorine effects. Angew. Chem. Int. Ed 2014, 53, 9512– 9516.

13. Yang, Y.; Wu, R. Wang, X.* Xu, X. Li, Z.; Li, K.; Peng, Q.* Isoindigo fluorination to enhance photovoltaic performance of donor–acceptor conjugated copolymers, Chem. Commun. 2014, 50, 439–441.

14. Ji, C.-B.; Cao, Z.-Y.; Wang, X.*; Wu, D.-Y.; Zhou J. * A catalyst-Free, one-pot three-component aminomethylation of a-substituted nitroacetates: theoretical and experimental studies into the rate-accelerating effects of the solvent methanol, Chem. Asian J. 2013, 8, 877–882.

15. Jiao, S.-Y.; Peng,L.-L.; Li   K. *; Xie, Y.-M.; Ao, M.-Z.; Wang, X. *; Yu, X.-Q.* , A BINOL-based ratiometric fluorescent sensor for Zn2+and in situ generated ensemble for selective recognitionof histidine in aqueous solution, Analyst 2013, 138, 5762-5768.

16. Wang, X.Lau, K.-C.* Theoretical investigations on charge-transfer properties of novel high mobility n‑channel   organic semiconductors – diazapentacene derivatives, J. Phys. Chem. C 2012, 116, 22749–22758.

17. Yang, T.; An, J. J; Wang, X.*; Wu, D. Y.; Chen, W. B., Fossey, J. S.* , A theoretical exploration of unexpected aminep interactions Phys. Chem. Chem. Phys.2012, 14, 10747–10753.

18. Liu, Y. L.; Shi, T. D.; Zhou, F.; Zhao, X. L.; Wang, X.*; Zhou, J.*, Organocatalytic asymmetric strecker reaction of di- and trifluoromethyl ketoimines. remarkable fluorine effect, Org. Lett. 2011, 133826–3829

 

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