曾艳丽
发布时间:2024-04-07 浏览次数:0
曾艳丽,理学博士,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,历任化学材料科学学院副院长、院长,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: 0311-80789731(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,《结构化学》2023年获批河北省课程思政示范课程、教学名师和团队,《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年获批河北省研究生课程思政示范课程;主持河北省高等教育教学改革与实践项目2项:2017年《一流本科专业建设背景下化学专业系列课程思政教学的研究与实践》和2022年《基于卓越教师培养的化学课程体系架构与实践探索》;主持2023年河北省研究生教育教学改革研究项目:高校有组织的科研推动化学学科研究生创新能力培养的改革研究与实践;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Chemistry—A EuropeanJournal、Physical Chemistry Chemical Physics、Dalton Transactions、Organometallics、Journal of ComputationalChemistry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) Chang Zhao,Ying Li, Yanjiang Wang, Yanli Zeng*
Cationic Hypervalent Chalcogen Bond Catalysison the Povarov Reaction: Reactivity and Stereoselectivity
Chem. Eur. J., 2024, e202400555.
(2)Ying Li, Chang Zhao,Zhuo Wang,Yanli Zeng*
HalogenBond Catalysis: A Physical Chemistry Perspective
J.Phys. Chem. A 2024, 128(3), 507−527.
(3) Ying Li, Chang Zhao, Huaiyu Zhang*, YanliZeng*
Halogen Bond Catalysis on the [4+2]Cycloaddition Reaction of 2-Vinylindoles: Catalytic Modes and Stereoselectivity
Phys.Chem. Chem. Phys., 2024,26, 477–484.
(4) Cuihong Sun,Baoen Xu, Yanli Zeng*
Pressure and temperature dependent kinetics and reaction mechanism ofCriegee intermediate with vinyl alcohol: a theoretical study
Phys. Chem. Chem. Phys., 2024, 26, 9524–9533.
(5) Yanjiang Wang,Chang Zhao, Wen-Kai Chen*, YanliZeng*
ChalcogenBond Catalysis with Telluronium Cations for Bromination Reaction: Importance ofElectrostatic and Polarization Effects
Chem.Eur. J. 2023, 29(71), e202302749.
(6) Zhuo Wang, Chang Zhao, XiaoyanLi, Bo Shi*, Yanli Zeng*
Neutral monodentate and Hypervalent Chalcogen bond Catalysison the intramolecular Rauhut-Currier Reaction of Bis(enones): A DFT study
Chem.Eur. J. 2023, 29(25),e202300171.
(7)HuaiyuZhang*, Yating Wang, Qingrui Lu, Jinshuai Song, Yandong Duan, Yanli Zeng*, Yirong Mo*
StretchedCentral Double Bonds in Dialumene and Disilene by Amino Substituents: A Case ofLone Pair Repulsion
Chem.Eur. J. 2023, 29(58), e202301862.
(8) Ying Li,Yuanyuan Sun, Chang Zhao and Yanli Zeng*
Activation ofMetal-Involving Halogen Bonds and Classical Halogen Bonds in Gold(I) Catalysis
Dalton Trans., 2023, 52, 4517–4525.
(9) Chang Zhao,Ying Li, Xiaoyan Li, Yanli Zeng*
Iodine(I)-basedand Iodine(III)-based Halogen Bond Catalysis on the Friedel-Crafts Reaction: ATheoretical Study
Phys.Chem. Chem. Phys., 2023, 25, 21100-21108
(10) Liping Cheng, Baoen Xu, Yanli Zeng*, Lingpeng Meng*
IntrinsicDefects at Interface of FAPbI3/MAPbI3 Superlattice: Insight fromFirst-Principles Calculation
Phys.Chem. Chem. Phys., 2023, 25, 6369–6379
(11) WeiTang, Liping Cheng, Liguo Zhang, Xiangdong Xue, Dongxue Zhou, Baozhen Li, GeWang, Yanli Zeng*, XueqingXing, Yunzheng Tian, Wenjun Dong*
IntegratingElectronic Structure Regulation and Dynamic Active-Sites Construction onNixCd1-xS-Ni0 Photocatalyst for Efficient Hydrogen Evolution
J.Colloid Interface Sci., 2023, 629, 1015–1026.
(12) Yuanyuan Sun, Ying Li, Xiaoyan Li, Lingpeng Meng, YanliZeng*
The role of halogenbonds in the Catalytic Mechanism of Iso-Nazarov Cyclization Reaction: A DFTStudy
Phys.Chem. Chem. Phys., 2022, 24, 18877-18887.
(13) Ying Li, Yuanyuan Sun, Lingpeng Meng,Qingzhong Li, Yanli Zeng*
Halogen Bond Catalysis on Carbonyl–OlefinRing-Closing Metathesis Reaction: Comparison with Lewis Acid Catalysis
Chin.J. Chem.,2022, 40, 1275–1284.
(14) YuanyuanSun, Ying Li, Xiaoyan Li*, YanliZeng*
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.
(15) 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.
(16) Bo Shi,Weigang Wang*,Cici Fan, Yuchan Zhang, Zheng Sun, Yanli Zeng*, 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.
(17) Liping Cheng, Baoen Xu, Xiaoyan Li, YanliZeng*, Lingpeng Meng*
Electronic andPhotovoltaic Properties of Superlattices Constructed by Organic-inorganicPerovskites: A Theoretical Perspective
ACSAppl. Energy Mater., 2022, 5, 2430−2441.
(18) Jinhui Mi,Suhong Huo, Yanli Zeng*, 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
(19) Shaojie Shen,Xinyue Jing, Xueying Zhang*, 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.
(20) 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.
(21) ChangZhao, 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
(22) HuaiyuZhang,* Rui Yuan, Jinshuai Song, Xiaoyan Li, Yanli Zeng*, andYirong Mo*
Side-On versusEnd-On Binding Modes between Metal Cations and (NHC)AlAl(NHC)
Organometallics2020, 39, 3240−3249
(23) 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.
(24) 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.
(25) ZhihuaHu, Yanli Zeng*, Xiaoyan Li, Lingpeng Meng*
Enhancing thestability of perovskites by constructing heterojunctions of graphene/MASnI3
Phys.Chem. Chem. Phys., 2020, 22, 3724–3733.
(26) 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.
(27) Jing Cui,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.
(28) 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.
(29) Shuaifei Guo, Cuihong Sun, Lingpeng Meng, Yanli Zeng*
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.
(30) Runtian Chu, Yanli Zeng*, Mengyu Liu, Shijun Zheng, andLingpeng 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.
(31) WeiGuo, Shuang Du, Yulong Lin, Bo Lu, Caiqin Yang, Jing Wang*, Yanli Zeng*
Structuraland computational insights into the enhanced solubility of dipfluzine bycomplexation: salt and salt-cocrystal.
NewJ. Chem.,2018, 42, 15068—15078
(32) Wenzhe Pang, Jie Lv, Shuang Du, Jiaojiao Wang,Jing Wang* and Yanli Zeng*
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.
(33) Wei Li, Yanli Zeng*, Xiaoyan Li,Zheng Sun, Lingpeng Meng*
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.
(34) Lei Gao, Yanli Zeng*, XueyingZhang, and Lingpeng Meng*
Comparative Studies on Group III σ-Hole and π-HoleInteractions
J. Comput. Chem. 2016, 37(14),1321–1327. (Cover image)
(35) Wei Li, Yanli Zeng*,XiaoyanLi,Zheng Sun, 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.
(36) Shasha Zhao, Baoen Xu, Nannan Sun, Zheng Sun, YanliZeng*, 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.
(37) Wenjie Wu, Xiaoyan Li, Lingpeng Meng, ShijunZheng, Yanli Zeng*
Understanding the Properties of Inorganic BenzenesBased on π-Electron Densities
J.Phys. Chem. A 2015, 119, 2091−2097.
(38) 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.
(39) Na Han, Yanli Zeng*, Cuihong Sun,Xiaoyan Li, Zheng Sun, Lingpeng Meng*
N···I Halogen Bonding Interactions: The Influence ofLewis Bases on Their Strength and Characters
J. Phys. Chem. A, 2014, 118, 7058−7065.
(40) Na Han, YanliZeng*, 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.
(41) Yanli Zeng, Wenjie Wu, XiaoyanLi, 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.
(42) 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.
(43) 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.
(44) 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.
(45) 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.
(46) Yanli Zeng, Ke Fan, Xiaoyan Li,Baoen Xu, Xiaozhen Gao, 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.
(47) 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.
(48) Yanli Zeng, Shijun Zheng*,Lingpeng Meng
Studieson reactions INCX→IXCN(X=O, S, and Se)
Inorg. Chem., 2004, 43, 5311–5320.