硕士生导师

曾艳丽

发布时间:2022-03-23   浏览次数:0


曾艳丽,博士,教授,博士生导师,河北省教学名师,河北省高校百名创新优秀人才,现任河北师范大学科技处处长。

工作和学习经历:

1997年6月毕业于河北师范大学化学系,获理学学士学位;2000年6月研究生毕业于河北师范大学化学系,获理学硕士学位;2005年1月毕业于中国科学院研究生院物理化学专业,获理学博士学位。2000年7月参加工作,2005年11月破格评为教授。

联系方式:

Email: yanlizeng@hebtu.edu.cn

Tel: 0311-80787402(office)

教学方面:

2019年获河北省第八届高等教育教学成果奖一等奖,第一完成人;2021年获河北省教学名师称号。作为课程负责人,《结构化学》2020年获批国家级一流本科线下课程,《群论与化学》2019年获批河北省研究生示范课程,《电子密度拓扑分析理论及应用》2021年获河北省研究生课程思政示范课程。2017年获河北师范大学卓越教师奖,2015年、2018年、2021年获河北师范大学优秀研究生指导教师。

科研方面:

研究领域包括:计算量子化学,理论无机化学,物理有机化学。具体研究方向:(1)研究卤键、硫键、磷键等非共价相互作用催化有机反应的作用机制;(2)采用电子密度拓扑分析方法研究特殊化学键的结构;(3) 研究大气中瞬态自由基的相关反应机理,为消除环境污染提供可能的途径和方法。近5年来,在Organometallics、Phys.Chem. Chem. Phys.、J. Comput. Chem.等国内外重要学术刊物上发表SCI论文100余篇。主持国家自然科学基金2项、河北省自然科学基金4项、河北省高等学校百名创新优秀人才计划1项,河北省教育厅项目3项。2005年和2010年两次获得河北省自然科学三等奖。


主持的科研项目:

1. 卤键作用的本质及其在晶体工程中的应用, 国家自然科学基金面上项目, 项目编号:21371045,研究起止年限:2014.01-2017.12,研究经费:80万元

2. 电子密度拓扑分析理论方法研究弱键结构, 国家自然科学基金青年项目, 项目编号:20801017,研究起止年限:2009.01-2011.12,研究经费:25万元

3. 第一批河北省高校百名优秀创新人才支持计划(Ⅲ) , 项目编号:SLRC2017041, 研究起止年限:2017.01-2019.12,研究经费:20万元

4. 硫键和磷键催化碳—碳偶联反应机制的理论研究,河北省自然科学基金面上项目,项目编号:B2022205022,研究起止年限:2022.1.1-2024.12.31, 研究经费:10.0万元

5. 卤键在有机反应中的催化机理研究,河北省高等学校科学技术研究项目重点项目,项目编号:ZD2022103,研究起止年限:2022.1.1-2024.12.31, 研究经费:7.5万元

6. 新型σ-hole作用的本质及其在催化反应中的应用,河北省自然科学基金面上项目,项目编号:B2019205113研究起止年限:2019.1.1-2021.12.31, 研究经费:10.0万元

7.一种新型非共价相互作用—卤键作用的电子密度拓扑分析理论研究, 河北省自然科学基金面上项目, 项目编号: B2015205045, 研究起止年限:2015.1.1-2017.12.31, 研究经费:6.0万元

8. 电子密度拓扑分析方法在弱相互作用体系中的应用, 河北省自然科学基金项目, 项目编号:B2008000138, 研究起止年限:2008.01-2010.12,研究经费:4.5万元

9. 电子密度拓扑理论方法研究卤键作用及其相关反应,河北省教育厅重点项目,项目编号:ZH2012006,研究起止年限:2013.01-2015.12,研究经费:6万元

10. 城市光化学烟雾和酸雾形成中瞬变物种的产生及其化学反应,河北省教育厅项目,项目编号:2007123, 研究起止年限:2008.01-2010.12,研究经费:2万元


代表性科研论文:

(1) Yuanyuan Sun, Ying Li,Xiaoyan Li, Lingpeng Meng, Yanli Zeng*

The role of halogenbonds in the Catalytic Mechanism of Iso-Nazarov Cyclization Reaction: A DFTStudy

Phys.Chem. Chem. Phys., 2022, 24, 18877-18887.

(2) Ying Li, Yuanyuan Sun,Lingpeng Meng, Qingzhong Li, YanliZeng*

Halogen Bond Catalysis on Carbonyl–OlefinRing-Closing Metathesis Reaction: Comparison with Lewis Acid Catalysis

Chin.J. Chem.,2022, 40, 1275–1284.

(3)Yuanyuan Sun, Ying Li,Xiaoyan Li*, Yanli Zeng*

Mechanism andImpact of Mono/bis(iodoimidazolium) Halogen-Bond Donor Catalysts on MichaelAddition of Indole with Trans-crotonophenone: DFT Calculations

Phys.Chem. Chem. Phys., 2022, 24, 6690–6698.

(4) Xuening Li, Ying Li, Yuanyuan Sun,Lingpeng Meng,Yanli Zeng*

BF3-CatalyzedMukaiyama Aldol Reaction of Acetaldehyde with 2-siloxy-1-propene

J.Comput. Chem.,2022, 43, 402–412.

(5) Bo Shi, Weigang Wang*, Cici Fan, Yuchan Zhang, Zheng Sun, YanliZeng*, Maofa Ge

Study on thereaction of 3-methyl-2-butenal and 3-methylbutanal with Cl atoms: kinetics andreaction mechanism

J.Environ. Sci.,2022, 116, 25–33.

(6) Liping Cheng,Baoen Xu, Xiaoyan Li, Yanli Zeng*, Lingpeng Meng*

Electronic andPhotovoltaic Properties of Superlattices Constructed by Organic-inorganicPerovskites: A Theoretical Perspective

ACSAppl. Energy Mater., 2022, 5, 2430−2441.

(7) Jinhui Mi, Suhong Huo, YanliZeng*, Lingpeng Meng, and Xiaoyan Li*

Control of theRegioselectivity of Alkyne Hydrostannylation by Tuning the Metal Pair ofHeterobimetallic Catalysts: A Theoretical Study

Organometallics 2021, 40,654−662

(8) Shaojie Shen, Xinyue Jing, XueyingZhang*, Xiaoyan Li, Yanli Zeng*

The competitionand cooperativity of hydrogen/halogen bond and π-hole bond involving theheteronuclear ethylene analogues

J. Comput. Chem., 2021, 42, 908–916.

(9) Ying Li, Lingpeng Meng, Yanli Zeng*

Comparison ofAnion-Anion Halogen Bonds with Neutral-Anion Halogen Bonds in the Gas Phase andPolar Solvents

ChemPlusChem 2021, 86,232– 240.

(10) Chang Zhao, Cuihong Sun, Xiaoyan Li,YanliZeng*

Aza-Diels-Alder Reaction of Danishefsky’s Diene with ImineCatalyzed by N-heterocyclic Imidazole Halogen Bond Donors

ChemistrySelect 2021,6, 12843–12851

(11) Huaiyu Zhang,* Rui Yuan, JinshuaiSong, Xiaoyan Li, Yanli Zeng*, and Yirong Mo*

Side-On versusEnd-On Binding Modes between Metal Cations and (NHC)AlAl(NHC)

Organometallics2020, 39, 3240−3249

(12) Guangxia Li, Lingpeng Meng, Huaiyu Zhang, Xiaoyan Li*, Yanli Zeng*

Electronic Structure of Triangular M3 (M = B, Al,Ga): Nonclassical Three-center Two Electron π Bond and σ Delocalization

Phys.Chem. Chem. Phys., 2020, 22, 18071−18077.

(13) Ying Li, Lingpeng Meng, Cuihong Sun*,Yanli Zeng*

Organocatalysis byHalogen, Chalcogen, and Pnictogen Bond Donors in Halide Abstraction Reactions:An Alternative to Hydrogen Bond-Based Catalysis

J.Phys. Chem. A 2020,124, 3815−3824.

(14) Zhihua Hu, Yanli Zeng*, XiaoyanLi, Lingpeng Meng*

Enhancing thestability of perovskites by constructing heterojunctions of graphene/MASnI3

Phys.Chem. Chem. Phys., 2020, 22, 3724–3733.

(15) Yanfeng Jia,Yanli Zeng*, Xiaoyan Li, and Lingpeng Meng *

Effect of SrSubstitution on the Property and Stability of CH3NH3SnI3Perovskite: A First-Principles Investigation

Int.J. Energ. Res.,2020, 44:5765–5778.

(16) JingCui, Xueying Zhang, Lingpeng Meng*, Qingzhong Li,Yanli Zeng*  

Coinage Metal Dimers as the Noncovalent InteractionAcceptors: Study of the s-lump Interactions

Phys. Chem. Chem. Phys., 2019, 21, 21152—21161.

(17) Mengyu Liu, Yanli Zeng*,Zheng Sun, Lingpeng Meng*

Predicting thehalogen-n (n=3-6) synthons to form the “windmill” pattern bonding based on thehalogen-bonded interactions

J.Comput. Chem., 2019, 40,1219–1226.

(18) Shuaifei Guo, Cuihong Sun, Lingpeng Meng, YanliZeng*

The mechanism of ring-opening polymerization ofL-lactide by ICl3 catalysts: Halogen bond catalysis or participating inreactions

J.Comput. Chem. 2019, 40(32), 2827-2833.

(19) Runtian Chu, YanliZeng*, Mengyu Liu, Shijun Zheng, and Lingpeng Meng*

Insight into theEffects of Electrostatic Potentials on the Conversion Mechanism of theHydrogen-Bonded Complexes and Carbon-Bonded Complexes: An Ab Initio and QuantumTheory of “Atoms in Molecules” Investigation

ACSOmega2019, 4, 231−241.

(20) Wei Guo, Shuang Du, YulongLin, Bo Lu, Caiqin Yang, Jing Wang*, YanliZeng*

Structuraland computational insights into the enhanced solubility of dipfluzine bycomplexation: salt and salt-cocrystal.

NewJ. Chem.,2018, 42, 15068—15078

(21) Wenzhe Pang, Jie Lv, Shuang Du, Jiaojiao Wang, Jing Wang* and YanliZeng*

Preparation of Curcumin−Piperazine Coamorphous Phase and Fluorescence Spectroscopic and DensityFunctional Theory Simulation Studies on the Interaction with Bovine SerumAlbumin

Mol. Pharmaceutics 2017, 14, 3013−3024.

(22) Wei Li, Yanli Zeng*, Xiaoyan Li, Zheng Sun, LingpengMeng*

Insight into the pseudo π-hole interactions in the M3H6···(NCF)n(M = C, Si, Ge, Sn, Pb; n = 1, 2, 3) complexes

Phys.Chem. Chem. Phys., 2016, 18,24672–24680.

(23) Lei Gao, Yanli Zeng*, Xueying Zhang, and LingpengMeng*

Comparative Studies on Group III σ-Hole and π-HoleInteractions

J. Comput. Chem. 2016, 37(14),1321–1327.  (Cover image)

(24) Wei Li, Yanli Zeng*,Xiaoyan Li,ZhengSun, Lingpeng Meng*

The Competition of Y···O and X···N Halogen Bonds toEnhance the Group V σ-hole Interaction in the NCY···O=PH3···NCX andO=PH3···NCX···NCY (X, Y = F, Cl, and Br) Complexes

J. Comput. Chem. 2015, 36, 1349–1358.

(25) Shasha Zhao, Baoen Xu, Nannan Sun, Zheng Sun, Yanli Zeng*,and Lingpeng Meng*

Improvement in dehydrogenation performance ofMg(BH4)2×2NH3 doped with transition metal:First-principles investigation

Int. J. Hydrogen Energ., 2015, 40,8721-8731.

(26) Wenjie Wu, Xiaoyan Li, Lingpeng Meng, Shijun Zheng, Yanli Zeng*

Understanding the Properties of Inorganic BenzenesBased on π-Electron Densities

J.Phys. Chem. A 2015, 119, 2091−2097.

(27) Wei Li, Yanli Zeng*,XueyingZhang,Shijun Zheng,Lingpeng Meng*

The Enhancing Effects of Group V σ-hole Interactionson the F···O Halogen Bond

Phys. Chem. Chem. Phys., 2014, 16, 19282-19289.

(28) Na Han, Yanli Zeng*, Cuihong Sun, Xiaoyan Li, ZhengSun, Lingpeng Meng*

N···I Halogen Bonding Interactions: The Influence ofLewis Bases on Their Strength and Characters

J. Phys. Chem. A, 2014, 118, 7058−7065.

(29) Na Han, Yanli Zeng*,Xiaoyan Li, Shijun Zheng, Lingpeng Meng*

Enhancing Effects of Electron-Withdrawing Groups andMetallic Ions on Halogen Bonding in the YC6F4X···C2H8N2(X = Cl, Br, I; Y = F, CN, NO2, LiNC+, NaNC+)Complex

J. Phys. Chem. A, 2013, 117 (48), pp 12959–12968.

(30) Yanli Zeng, Wenjie Wu, Xiaoyan Li, Shijun Zheng,Lingpeng Meng*

Influence of the Li···π Interaction on the H/X···πInteractions in HOLi···C6H6···HOX/XOH (X = F, Cl, Br, I)Complexes

ChemPhysChem, 2013, 14(8): 1591–1600.

(31) Yanli Zeng, Min Zhu,Xiaoyan Li, Shijun Zheng, Lingpeng Meng*

Assessment of intermolecular interactions at threesites of the arylalkyne in phenylacetylene-containing lithium-bonded complexes:Ab initio and QTAIM studies

J. Comput. Chem. 2012, 33, 1321-1327.

(32) Yanli Zeng, Xueying Zhang, Xiaoyan Li, Lingpeng Meng,Shijun Zheng*

The role of molecular electrostatic potentials inthe formation of halogen bond in furan∙∙∙XY and thiophene∙∙∙XY (X=Cl, Br; Y=F,Cl and Br) complexes

ChemPhysChem, 2011, 12,1080-1087.          

(33) Yanli Zeng, Min Zhu,Lingpeng Meng, Shijun Zheng*

The role of π electrons in the formation of benzene-containing lithium-bondedcomplexes

ChemPhysChem, 2011, 12, 3584-3590.    

(34) Yanli Zeng, Jing Hao,Shijun Zheng, Lingpeng Meng*

Cooperativity between S∙∙∙π and Rg∙∙∙π in theOCS∙∙∙C6H6∙∙∙Rg (Rg = He, Ne, Ar, and Kr) van der WaalsComplexes

J. Phys. Chem. A 2011, 115, 11057–11066.

(35) Yanli Zeng, Ke Fan, Xiaoyan Li, Baoen Xu, XiaozhenGao, Lingpeng Meng*

First-principles studies of the structures andproperties of Al- and Ag-substituted Mg2Ni alloys and their hydrides

Int. J. Hydrogen Energ. 2010, 35, 10349–10358.

(36) Yanli Zeng, Lingpeng Meng,Xiaoyan Li, Shijun Zheng*

Topologicalcharacteristics of electron density distribution in SSXY→XSSY (X or Y = F, Cl,Br, I) isomerization reactions

J.Phys. Chem. A 2007, 11, 9093–9101.      

(37) Yanli Zeng, Shijun Zheng*, Lingpeng Meng

Studieson reactions INCX→IXCN(X=O, S, and Se)

Inorg.Chem., 2004, 43, 5311–5320.