尹兵
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男
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610302**5
birth
1981-12-19
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化学楼628
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rayinyin@nwu.edu.cn
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群众
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化学与材料科学学院,
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汉
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陕西西安
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在职
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计算量子化学：分子磁性，超原子团簇，反应机理
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2000.09-2009.07,本硕博,北京师范大学化学学院，获理学博士学位(导师：黄元河教授)　　2009.07-2014.04，西北大学化学与材料科学学院，讲师（物理化学学部）　　2014.04至今，西北大学化学与材料科学学院，副教授（物理化学学部）　　2012年获批硕士生导师资格，以第一或通讯作者发表SCI论文30余篇(二区或IF大于4.0的20余篇)，主持国家自然科学基金，中国博士后科学研究基金和陕西省自然科学基金等项目。本人目前研究具有扎实的基础及广阔的发展前景，热烈欢迎对量子化学计算与理论感兴趣的同学来信咨询，联系本人从事研究。　http://www.researcherid.com/rid/G-1390-2015https://www.researchgate.net/profile/Bing_Yin2http://orcid.org/0000-0001-8668-9504　　二、个人荣誉　　西北大学年度优秀教师　　西北大学优秀青年学术骨干支持计划　　三、主持科研项目:　　(4)“新型多核超卤化物的磁性及调控有机小分子电子性质的理论研究”　　陕西省自然科学基金青年人才项目（2016JQ2038）2016.01-2017.12　　(3)“基于非卤原子配体的多核超卤化物的理论设计与表征”　　陕西省教育厅高校科技创新项目自然科学专项项目（2013JK0645）2014.01-2015.12　　(2)“新型双核三明治型POM体系的功能性质的理论研究”　　国家自然科学基金青年基金项目（**）2012.01-2014.12　　(1)“双核POM体系的分子磁性的DFT-BS研究”　　中国博士后科学研究基金第四十九批面上项目（）2011.07-2012.12　　四、指导研究生所获荣誉周富强(2015级硕士)，2017年度研究生国家奖学金和校级一等奖学金赵茹芳(2016级硕士)，2017年度研究生校级一等奖学金,2018年度研究生校级一等奖学金　　李金凤(2013级硕士)，2015年度研究生校级二等奖学金，主持西北大学研究生自主创新类项目“基于非卤原子配体的多核超卤化物的量子化学研究”　　孙银银(2014级硕士)，2016年度研究生校级一等奖学金　　五、代表性论文(第一或通讯作者):　　**********独立工作以后成果**********2019年[36] Regulation of Substituent Effects on Configurations and Magnetic Performances of Mononuclear DyIII Single-Molecule Magnets. Inorg Chem,2019,58,22,15330-15343 (IF=4.86,化学类二区TOP),共同通讯(与宝鸡文理学院张盛博士合作),DOI;10.1021/acs.inorgchem.9b02322[35] Fine-tuning the type of equatorial donor atom in pentagonal bipyramidal Dy(III) complexes to enhance single-molecule magnet properties. Dalton Trans., 2019,48,16384-16394 (IF=4.03,化学类二区),共同通讯(与西北大学陈三平教授合作), DOI: 10.1039/C9DT03292D[34] Combining proton and silaborane-based superhalogen anions - an effective route to new superacid as verified by systematic DFT calculations, Dalton Trans., 2019,48,16184-16198, back cover (IF=4.03,化学类二区),通讯作者(独立研究),DOI: 10.1039/c9dt03616d[33] Exploring the structure, bonding and stability of noble gas compound promoted by superhalogens. A case study on HNgMX3 (Ng=Ar-Rn, M=Be-Ca, X=F-Br) Phys Chem Chem Phys,2019,21,19104-19114 (IF=3.91,化学类二区TOP),通讯作者(独立研究) DOI:10.1039/C9CP03788H[32]Three Dy(III) single-ion magnets bearing tropolone ligand: structure, magnetic property and theoretical elucidation. Dalton Trans., 2019,48,6627–6637 (IF=4.03,化学类二区),共同通讯(与广西师范大学陈自卢教授合作), DOI: 10.1039/C9DT00364A[31]Exploring the necessity of an acidic additive for Pd(II)-catalyzed exclusive C4-fluoroalkylation of 3-acetylindole: a detailed DFT study on the mechanism and regioselectivity. Org Chem Front,2019,6,2607-2618 (IF=5.45,化学类二区),通讯作者(独立研究)DOI:10.1039/C8QO01338A[30] Constructing organic superacid from superhalogen is a rational route as verified by DFT calculations. Phys Chem Chem Phys,2019,21,2804(IF=3.91,化学类二区TOP),通讯作者(独立研究)DOI:10.1039/C8CP07313A[29] Designing a mononuclear DyIII single-molecule magnet (SMM) by using a ,O,N,O-based multichelating Schiff base ligand and a beta-diketonate ligand. New J Chem., 2019,43,454-462 (IF=3.20,化学类三区),共同通讯(与宝鸡文理学院张盛博士合作) DOI:10.1039/c8nj04019b2018年[28] Targeted synthesis of visible-light-driven covalent organic framework photocatalyst via molecular design and precise construction. Appl Catal B-Environ., 2018,239,147-153(IF=11.70,工程技术类一区TOP),第二作者(负责理论计算部分，与中国科学院生态环境研究中心蔡亚岐研究员合作), DOI:10.1016/j.apcatb.2018.08.005[27] The slow magnetic relaxation regulated by the coordination, configuration and intermolecular dipolar field in two mononuclear DyIII single-molecule magnets (SMMs). Dalton Trans., 2018,47,12393-12405(IF=4.03,化学类二区),共同通讯(与宝鸡文理学院张盛博士合作), DOI: 10.1039/C8DT02361A[26] Experimental and theoretical interpretation of the magnetic behavior of two Dy(III) single-ion magnets constructed through β-diketonate ligands with different substituent groups (–Cl/–OCH3).RSC Adv,2018,8,29513-29525(IF=2.94,化学类三区),共同通讯(与宝鸡文理学院张盛博士合作), DOI:10.1039/c8ra06240d[25] Two {ZnII2DyIII} complexes supported by monophenoxido/dicarboxylates bridges with multiple relaxation processes: carboxylato ancillary ligands controlled magnetic anisotropy in square antiprismatic DyIII species. Dalton Trans,2018,47,9482-9491(IF=4.03,化学类二区),共同通讯(与西北大学陈三平教授合作), DOI:10.1039/C8DT01842A[24] Superhalogen-based composite with strong acidity: a crossing point between two topics. Inorg Chem Front,2018,5,2934-2947(IF=5.11,化学类二区),通讯作者(独立研究),DOI: 10.1039/C8QI00647D[23] Why do higher VDEs of superhalogen not ensure improved stabilities of the noble gas hydrides promoted by them? A high-level ab initio case study. J Chem Phys, 2018,149,064301 (IF=2.97,物理类二区TOP),通讯作者(独立研究), DOI:10.1063/1.**[22] Manipulating the Relaxation of Quasi-D4d Dysprosium Compounds through Alternation of the O-donor Ligands.Inorg Chem,2018,57(8),4534–4542(IF=4.86,化学类二区TOP),共同通讯(与中科院长春应化所唐金魁研究员合作),DOI:10.1021/acs.inorgchem.8b00294[21]Excess axial electrostatic repulsion as a criterion for pentagonal bipyramidal DyIII single-ion magnets with high Ueff and TB. J Mater Chem C,2018,6, 4273-4280 (IF=5.26,材料类一区),共同通讯(与西北大学陈三平教授合作), DOI:10.1039/C8TC00353J　　2017年[20]Experimental and Theoretical Interpretation on the magnetic behavior in a series of Pentagonal-Bipyramidal DyIII Single-Ion Magnets. Chem Eur J, 2017,23,17775 (IF=5.32,化学类二区),共同通讯(与西北大学陈三平教授合作), DOI:10.1002/chem.　　[19]Could the increased structural versatility imposed by non-halogen ligands bring something new for polynuclear superhalogens? A case study on binuclear [Mg2L5]- (L=-OH,-OOH and-OF) anions. Phys Chem Chem Phys,2017,19,26986(IF=4.13,化学类二区),通讯作者(独立研究), DOI:10.1039/C7CP05037B　　[18]The combination of superhalogens and Br?nsted acids HX (X=F,Cl,Br):An effective strategy for designing strong superacids.Inorg Chem,2017,56,11787(IF=4.86,化学类二区TOP),通讯作者(独立研究),DOI:10.1021/acs.inorgchem.7b01754　　[17]On Balancing the QTM and the Direct Relaxation Processes in Single-Ion Magnets-the Importance of Symmetry Control.Inorg Chem Front,2017,4,1141(IF=4.04,化学类二区),共同通讯(与西安交通大学郑彦臻教授合作),DOI:10.1039/C7QI00135E　　[16]Ligand Field Fine-tuning on Modulation of Magnetic Properties and Relaxation Dynamics for Dysprosium(III) Single-Ion Magnets (SIMs)：Synthesis,Structure,Magnetism and Ab Initio Calculations.J Mater Chem C,2017,5,1369(IF=5.26,材料类一区),共同通讯(与西北大学陈三平教授合作), DOI:10.1039/C6TC05188J2016年　　[15]Probing the potential of halogen-free superhalogen anions forming effective electrolyte of Li-ion battery.A theoretical prospect from combined ab initio and DFT study.Phys Chem Chem Phys,2016,18,28576-28584(IF=4.13,化学类二区),通讯作者(独立研究), DOI:10.1039/C6CP05871J　　[14]Fine-tuning of the coordination environment to regulate magnetic behaviour in solvent/anion-dependent DyIII compounds:synthesis,structure,magnetism and ab initio calculations.Inorg Chem,2016,55,10587-10596(IF=4.86,化学类二区),共同通讯(与西北大学陈三平教授合作), DOI:10.1021/acs.inorgchem.6b01803　　[13]Large Easy-Plane Magnetic Anisotropy in a Three-Coordinate Cobalt(II) Complex [Li(THF)4][Co(NPh2)3].Chem Eur J,2016,22,14821-14825(IF=5.32,化学类二区),共同通讯(与西安交通大学郑彦臻教授合作),DOI:10.1002/chem.　　[12]A two-dimensional cobalt(II) network with the remarkable positive axial anisotropy parameter exhibiting field-induced single-ion magnet behavior.J Mater Chem C,2016,4,7798(IF=5.26,材料类一区),共同通讯(与西北大学陈三平教授合作), DOI:10.1039/C6TC02234K　　[11]Reply to:“Comment on Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged Mg2(CN)5]-1 Anions by Li et al.”ChemPhysChem,2016,17,2947(IF=3.08,化学类三区),通讯作者(独立研究),DOI:10.1002/cphc.　　[10]Could the description on polynuclear superhalogens by DFT be comparable with high-level ab initio results?A comparison between DFT and CCSD(T).J Chem Phys, 2016, 144,054303(IF=2.97,物理类二区TOP),通讯作者(独立研究),DOI:10.1063/1.**2015年　　[9]Uniaxial magnetic anisotropy of square-planar chromium(II) complexes revealed by magnetic and HF-EPR studies.Chem Commun,2015,51,17688(IF=6.32,化学类一区),共同通讯(与西安交通大学郑彦臻教授合作), DOI:10.1039/C5CC07025B　　[8]Probing the properties of polynuclear superhalogens without halogen ligand via ab initio calculations.A case study on double-bridged [Mg2(CN)5]-1 anions, ChemPhysChem, 2015,16,3652(IF=3.08,化学类三区),通讯作者(独立研究), DOI:10.1002/cphc.　　[7]Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study.Phys Chem Chem Phys,2015,17,20338(IF=4.13,化学类二区)，通讯作者(独立研究),DOI:10.1039/c5cp03155a　　[6]Are superhalogens without halogen ligand capable of transcending traditional halogen-based superhalogens? Ab initio case study of binuclear anions based on pseudohalogen ligand.AIP Adv,2015,5,067143(IF=1.57,物理类三区)，通讯作者(独立研究), DOI:10.1063/1.**2014年　　[5]Mixed Ligand CuIIN2O2 Complexes:Biomimetic Synthesis,Activities in Vitro and Biological Models,Theoretical Calculations.Inorg Chem,2014,53,13019(IF=4.86,化学类二区)共同第一(与西北大学李剑利教授合作),DOI:10.1021/ic**　　[4]Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands.J Chem Phys,2014,140,094301(IF=2.97,物理类二区TOP)，第一/通讯(独立研究),DOI:10.1063/1.**2013年　　[3]Are trinuclear superhalogens promising candidates for building blocks of novel magnetic materials? A theoretical prospect from combined broken-symmetry density functional theory and ab initio study.J Chem Phys,2013,139,054305(IF=2.97,物理类二区TOP),通讯作者(独立研究),DOI:10.1063/1.**2012年　　[2]The magnetic coupling in manganese-based dinuclear superhalogens and their analogues.A theoretical characterization from combined DFT and BS study.Phys Chem Chem Phys,2012,14,1121(IF=4.13,化学类二区)，第一/通讯(独立研究),DOI:10.1039/c1cp22928a　　[1]Combined DFT and BS study on the exchange coupling of dinuclear sandwich-type POM:Comparision of different functionals and reliability of structure modeling.J Mol Model,2012,18,2271(IF=1.43),第一/通讯(独立研究),DOI:10.1007/s00894-011-1248-4　　**********研究生期间成果**********　　[2]Combined DFT and NBO study on the electronic basis of Si…N-donor-bond.J Mol Model,2010,16,437(IF=1.43),第一作者,DOI:10.1007/s00894-009-0560-8　　[1]Bonding analysis and stability on alternant B16N16 cage and its dimers.J Mol Model,2008,14,789(IF=1.43),第一作者,DOI:10.1007/s00894-008-0303-2　　六、期刊审稿人　　RSC journals: Chem Commun, Phys Chem Chem Phys, New J Chem, RSC Adv AIP journals: J Chem Phys Wiely journals: ChemPhysChem, Int J Quantum Chem ACS journals: J Phys Chem，J Am Chem Soc
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