谢 静 北京理工大学化学与和化工学院 电子邮箱： jingxie@bit.edu.cn，xiejingsilent@126.com 出生年月：1989 年 6 月 | |
研究领域 | 计算化学 直接动力学模拟气相化学反应动力学过程，探索反应机理，微溶剂化作用过渡金属催化反应机理 重金属化合物电子结构理论计算 |
教育背景 | 2010.7 – 2015.5 美国德克萨斯理工大学化学与生物化学系 博士 2006.9 – 2010.7 北京师范大学 化学学院 学士 |
工作经历 | 2019.3 – 至今 北京理工大学 化学与化工学院 准聘教授 2015.6 –2019.2 美国明尼苏达大学 化学系 博士后 |
荣誉奖励 | 2018 入选北京理工大学“特立青年学者” 2014 德克萨斯理工大学Horn Professor's 研究成果奖 2010 北京师范大学优秀毕业生论文，北京市优秀毕业生 |
承担项目 | 北京理工大学“高层次人才科研启动计划”项目 2019.3 – 2025.2 |
研究成果 | 在 Science, Acc. Chem. Res., J. Am. Chem. Soc., Angew. Chem. Int. Ed, Chem. Sci., Nature Chem., J. Phys. Chem., J. Chem. Phys. 等学术期刊上发表论文 20 余篇。 |
学术服务 | SCI 期刊审稿人 J. Am. Chem. Soc., J. Phys. Chem., J. Chem. Phys., Phys. Chem. Chem. Phys., Chem. Eur. J. |
课题组招聘 | 课题组每年招聘硕士生、博士生数名；欢迎优秀博士毕业生加入课题组从事博士后研究。欢迎对本课题组研究方向感兴趣的同学加盟！ |
Updated 2019-06-12 |
发表论文
2019
*25. R. C. Cammarota,# J. Xie,# S. A. Burgess, M. V. Vollmer, K. D. Vogiatzis, J. Ye, J. C. Linehan,
A. M. Appel, C. Hoffmann, X. Wang, V. G. Young Jr, C. C. Lu.* Thermodynamic and Kinetic Studies of H2 and N2 Binding to Bimetallic Nickel-Group 13 Complexes and Neutron Structure of a Ni(η2-H2) Adduct. Chem. Sci. 2019 (#共同一作，影响因子：9.06，Accepted)
24. J. Xie, J. Zhang, R. Sun, R. Wester, W. L. Hase.* Correlation between the Velocity Scattering Angle and Product Relative Translational Energy for SN2 Reactions. Comparison of Experiments and Direct Dynamics Simulations. Int. J. Mass. Spectrom. 2019, 438, 115-123 link
2018
23. J. Xie, H. A. Neal, Jennifer Szymanowski, Peter C. Burns, Todd M. Alam, M. Nyman,* L. Gagliardi.* Resolving Confined 7Li Dynamics of Uranyl Peroxide Capsule U24. Inorg. Chem. 2018, 57 (9), 5514–5525 link
*22. M. V. Vollmer,# J. Xie,# R. C. Cammarota, V. G. Young Jr., E. Bill,* L. Gagliardi,* C. C. Lu*. Formal nickelate(?I) complexes supported by group 13 ions: where are the valence electrons? Angew. Chem. Int. Ed. 2018, 57, 7815-7819 (# 共同一作, 影响因子：11.99) link
21. J. Ye,* R. C. Cammarota, J. Xie, M. V. Vollmer, D. G. Truhlar, C. J. Cramer, C. C. Lu,* L. Gagliardi.* Rationalizing the Reactivity of Bimetallic Molecular Catalysts for CO2 Hydrogenation. ACS Catal. 2018. 8, 4955–4968（影响因子：10.61) link
2017
20. M.V. Vollmer, J. Xie, C.C. Lu.* Stable Dihydrogen Complexes of Cobalt(?I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands. J. Am. Chem. Soc., 2017,139(19), 6570- 6573（影响因子：13.86）link
Featured in the ACS Select virtual issue “JACS Young Investigators,” as a highlight of work published by young investigators in JACS in 2017.
*19. R. C. Cammarota, M. V. Vollmer, J. Xie, J. Ye, J. C. Linehan, S. A. Burgess, A. M. Appel, L. Gagliardi, and C. C. Lu.* A Bimetallic Nickel–Gallium Complex Catalyzes CO2 Hydrogenation via the Intermediacy of an Anionic d10 Nickel Hydride, J. Am. Chem. Soc., 2017, 139 (40), 14244–14250 (影响因子：13.86）link
*18. N. H. Anderson, J. Xie, D. Ray, M. Zeller, L. Gagliardi, S. C. Bart.* Elucidating Bonding Preferences in Tetrakis(imido)uranate(VI) Dianions. Nature Chem. 2017, 9, 850–855（影响因子： 25.87) link
17. J. Xie, X. Ma, J. Zhang, P. M. Hierl, A. A. Viggiano, W. L. Hase.* Effect of Microsolvation on the OH-(H2O)n + CH3I Rate Constant. Comparison of Experiment and Calculations for OH-(H2O)2 + CH3I. Int. J. Mass. Spectrom. 2017, 418, 122-129 link
16. X. Liu, J. Xie, L. Yang,* J. Zhang,* W. L. Hase. Steric Effects of Solvent Molecules on SN2 Substitution Dynamics. J. Phys. Chem. Lett., 2017, 8.8, 1885-1892（影响因子：8.54) link
15. S. Pratihar, X. Ma, J. Xie, R. Scott, E. Gao, B. Ruscic, A. J. A. Aquino, D. W. Setser, W. L. Hase.* Post-transition state dynamics and product energy partitioning following thermal excitation of the F?HCH2CN transition state: Disagreement with experiment. J. Chem. Phys. 2017, 147, 144301link
14. L. Yang, X. Liu, J. Zhang,* J.Xie. Effect of microsolvation on a SN2 reaction. Indirect atomistic dynamics and weakened suppression of reactivity. Phys. Chem. Chem. Phys. 2017, 19.15, 9992-9999. link
13. L. Yang, J. Zhang,* J. Xie, C. Zhao. Competing E2 and SN2 Mechanisms for the F- + CH3CH2I Reaction. J. Phys. Chem. A. 2017, 121 (5), 1078–1085 link
2016
*12. J. Xie, W. L. Hase.* Rethinking the SN2 reaction. Science, 2016, 6281 (352), 32-33. （影响因子：37.21) link
11. J. Zhang, L. Yang,* J. Xie, W. L. Hase. Microsolvated F-(H2O) + CH3I SN2 Reaction Dynamics. Insight into the Suppressed Formation of Solvated Products. J. Phys. Chem. Lett., 2016, 7 (4), 660– 665. link （影响因子：8.54)
2015
10. J. Xie, R. Otto, R. Wester, W. L. Hase.* Chemical dynamics simulations of the monohydrated OH- (H2O) + CH3I reaction. Atomic-level mechanisms and comparison with experiment. J. Chem.
Phys. 2015, 142, 244308. link
9. J. Xie, M. McClellan, R. Sun, S. C. Kohale, N. Govind, W. L. Hase.* Direct Dynamics Simulation of Dissociation of the [CH3--I--OH]- Ion-Molecule Complex. J. Phys. Chem. A 2015, 119, 817-
825. link
8. J. Xie, J. Zhang, W. L. Hase.* Is There Hydrogen Bonding for Gas Phase SN2 Pre-Reaction
complexes? Int. J. Mass. Spectrom. 2015, 378, 14-19 link.
7. J. Xie, Scott, M. J., Hase,* W. L., Hierl, P. M., Viggiano, A. A. Determination of the Temperature- Dependent OH-(H2O) + CH3I Rate Constant by Experiment and Simulation. Zeitschrift für Physikalische Chemie, 2015, 229(10-12), 1747-1763. link
6. J. Zhang, J. Xie, W. L. Hase.* Dynamics of the F–+ CH3I→ HF+ CH2I– Proton Transfer Reaction. J. Phys. Chem. A, 2015,119(50), 12517-12525. link
5. R. Sun, J. Xie, J. Zhang, W. L. Hase.* The F- + CH3I → FCH3 + I- Entrance Channel Potential Energy Surface. Comparison of Electronic Structure Methods. Int. J. Mass. Spectrom. 2015, 377, 222-
227. link
2014-2012
*4. J. Xie, R. Otto, J. Mikosch, J. Zhang, R. Wester, W. L. Hase.* Identification of Atomic-Level Mechanisms for Gas-Phase X- + CH3Y SN2 Reactions by Combined Experiments and Simulations. Acc. Chem. Res. 2014, 47, 2960-2969 link（影响因子：20.27)
3. J. Xie, S. C. Kohale, W. L. Hase,* S. G. Ard, J. J. Melko, N. S. Shuaman, A.
A. Viggiano, Temperature Dependence of the OH- + CH3I Reaction Kinetics. Experimental and Simulation. J. Phys. Chem. A, 2013, 117,14019–14027. link
2. J. Xie, R. Sun, M. R. Siebert, R. Otto, R. Wester, W. L. Hase.* Direct Dynamics Simulations of the Product Channels and Atomistic Mechanisms for the OH– + CH3I Reaction. Comparison with Experiment. J. Phys. Chem. A, 2013, 117, 7162–7178 link
1. R. Otto, J. Xie, J. Brox, S. Trippel, M. Stei, T. Best, M. R. Siebert, W. L. Hase, R. Wester.* Reaction Dynamics of Temperature-Variable Anion Water Clusters Studied with Crossed Beams and by Direct Dynamics. Faraday Discuss. 2012, 157, 41-57. link
学术会议及报告
8. | J. Xie, X. Ma, J. Zhang, L. Yang, W. L. Hase. Elucidating microsolvation effects on SN2 reactions via direct dynamics simulations. 73rd Southwest American Chemical Society Regional Meeting, SN2 dynamics Symposium, Lubbock, TX, USA, 2017.10 (邀请报告) |
7. | J. Xie, N. H. Anderson, L. Gagliardi, S. C. Bart. Elucidating bonding preference in tetrakis(imido)uranate (VI) dianions. Division of Nuclear Chemistry and Technology. Session of Young Investigators in Nuclear & Radiochemistry. The 253rd ACS National Meeting, San Francisco, CA, USA. 2017.4 (口头报告) |
6. | J. Xie, R. Otto, R. Wester, W. L. Hase. Chemical Dynamics Simulations of Monohydrated OH-(H2O) + CH3I Reaction. Gordon Research Conference, Galveston, TX, USA 2015.2 (墙报) |
5. | J. Xie, W. L. Hase. Investigating the Micro-Solvation Effect of Gas-Phase Ion-Molecule Reactions. - American Conference on Theoretical Chemistry, Telluride, CO, USA 2014.7 (墙报) |
4. | J. Xie, W. L. Hase. Direct Dynamics Simulations of the OH-(H2O) + CH3I Reaction. The 245th ACS National Meeting, New Orleans, LA, USA 2014.4 (墙报) |
3. | J. Xie, W. L. Hase. Direct Dynamics Simulations of the Product Channels and Atomistic Mechanisms for the OH- + CH3I Reaction. Gordon Research Conference, Galveston, TX, USA 2013.2 (墙报) |
2. | J. Xie, M. R. Siebert, W. L. Hase. Dynamics of OH-(H2O)n + CH3I Reactions. The 157th Faraday Discussion, Assisi, Italy. 2012.6 (墙报) |
1. | J. Xie, W. L. Hase. Understanding the Reaction Mechanism of a Prototype SN2 Reaction via Direct Dynamics Simulation. Southwest Theoretical Chemistry Conference, Lubbock, TX, USA 2011.10 (墙报) |
教学经历 | 2019 物理化学助教 2017 Honor’s 普通化学助理讲师 2014, 2013 有机化学助理讲师 2014, 2013 物理化学助理讲师 2011 普通化学实验助教 |
