张文静，博士，副教授，硕士生导师

联系方式：E-mail: zhangwj@zzu.edu.cn

学习经历：

w2012.08 ~ 2014.08，美国明尼苏达大学—双城分校，合作导师：Donald G. Truhlar教授

w2010.09 ~ 2014.12，郑州大学，博士，物理化学专业，导师：唐明生 教授

工作经历：

w2019.04 ~今，郑州大学，化学学院，副教授，硕士生导师

w2015.11 ~ 2019.03，郑州大学，化学与分子工程学院，讲师，硕士生导师

研究方向：

理论与计算化学（有机催化反应的机理和立体化学，金属催化反应机制，碳硼烷性质及功能化选择性的理论研究；DFT近似方法的发展等）

主持项目：

密度泛函计算3d/4d过渡金属原子轨道能与其同核双原子分子键能相关性的研究，国家自然科学基金青年基金，2016-2018

3d过渡金属原子轨道能与其二聚体键能相关性的研究，博士后科学基金面上项目，2016-2019

手性药物立体结构的计算与鉴定，横向项目，2017-2020

代表论文：

[1]Liu, J.; Fu, D.; Chen, Z.; Li, T.; Qu, L.-B.; Li, S.-J.*; Zhang, W.*; Lan, Y.* Regioselectivity of Pd-catalyzed o-carborane arylation: a theoretical view. Org. Chem. Front. 2022, 9, 1686-1695.

[2]Han, H.; Li, C.; Niu, X.; Wang, Y.; Zhang, W.*; Wang, Q.* A combination of polarity reversal, Diels–Alder cycloaddition and skeletal remodeling to access pyridine-fused nitrones. Chem. Commun. 2022, 58, 4775-4778.

[3]Yuan, W.-C.*; Yang, L.; Zhao, J.-Q.*; Du, H.-Y.; Wang, Z.-H.; You, Y.; Zhang, Y.-P.; Liu, J.; Zhang, W.*; Zhou, M.-Q. Copper-Catalyzed Umpolung of N-2,2,2-Trifluoroethylisatin Ketimines for the Enantioselective 1,3-Dipolar Cycloaddition with Benzo[b]thiophene Sulfones. Org. Lett. 2022, 24, 4603-4608.

[4]Xia, H.; Zhang, W.*; Yang, Y.*; Zhang, W.; Purchase, D.; Zhao, C.; Song, X.; Wang, Y. Degradation mechanism of tris(2-chloroethyl) phosphate (TCEP) as an emerging contaminant in advanced oxidation processes: A DFT modelling approach. Chemosphere 2021, 273, 129674.

[5]Wang, L.; Han, H.; Gu, L.; Zhang, W.*; Zhao, J.*; Wang, Q.* Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives. Chem. Sci. 2021, 12, 15389-15398.

[6]Jin, M.; Tang, C.; Li, Y.; Yang, S.; Yang, Y.-T.; Peng, L.; Li, X.-N.; Zhang, W.*; Zuo, Z.*; Gagosz, F.; Wang, L.-L.* Enantioselective access to tricyclic tetrahydropyran derivatives by a remote hydrogen bonding mediated intramolecular IEDHDA reaction. Nat. Commun. 2021, 12, 7188.

[7]Bai, H.; Zhang, H.; Guo, Y.; Chen, H.; Wei, D.; Li, S.; Zhu, Y.; Zhang, W.* Understanding the Z selectivity of the metal-free intermolecular aminoarylation of alkynes: A DFT study. Org. Chem. Front. 2019, 6, 125-133.

[8]Bai, H.; Zhang, H.; Zhang, X.; Wang, L.; Li, S.; Wei, D.; Zhu, Y.; Zhang, W.* Unravelling the Origins of Hydroboration Chemoselectivity Inversion Using an N,O-Chelated Ir(I) Complex: A Computational Study. J. Org. Chem. 2019, 84, 6709-6718.

[9]Li, X.; Sun, L.; Zhang, Q.; Li, S.; Wang, Y.; Wei, D.; Zhang, W.*; Lan, Y.* Mechanism and Substituent Effects of Benzene Arylation via a Phenyl Cation Strategy: A Density Functional Theory Study. ChemCatChem 2019, 11, 5068-5076.

[10]Zhang, K.; Han, H.; Wang, L.; Zhang, Z.; Wang, Q.*; Zhang, W.*; Bu, Z.* An unexpected cascade reaction of 3-hydroxyoxindoles with coumarin-3-carboxylates to construct 2,3-dihydrobenzofuran spirooxindoles. Chem. Commun. 2019, 55, 13681-13684.

[11]Bai, H.; Xu, H.; Zhang, H.; Guo, Y.; Shan, J.; Wei, D.; Zhu, Y.; Zhang, S.; Zhang, W.* Theoretical investigations of the Ir-catalyzed direct borylation of B(3,6)–H of o-carborane: the actual catalyst, mechanism, and origin of regioselectivity. Catal. Sci. Technol. 2018, 8, 5165-5177.

[12]Wang, Y.; Wei, D.*; Zhang, W.* Recent Advances on Computational Investigations of N-Heterocyclic Carbene Catalyzed Cycloaddition/Annulation Reactions: Mechanism and Origin of Selectivities. ChemCatChem 2018, 10, 338-360.

[13]Zhang, H.; Xu, H.; Bai, H.; Wei, D.; Zhu, Y.; Zhang, W.* Theoretical study on the mechanism and enantioselectivity of NHC-catalyzed intramolecular SN2′nucleophilic substitution: what are the roles of NHC and DBU? Org. Chem. Front. 2018, 5, 1493-1501.