王凯凤，博士，硕士研究生导师，2024年6月于苏州大学获得物理化学专业博士学位，同年7月加入澳博体育 从事教学科研工作。主要研究方向为：计算有机化学，物理有机化学。部分文章在Journal of the American Chemical Society，Angewandte Chemie International Edition，ACS Catalysis等高水平期刊发表。

个人主页://web.sjmstadium.com/wangkaifeng/zh_CN/index.htm

办公地点：澳博体育 化学楼417

电子邮箱：[email protected]

科研项目:

山东省自然科学基金青年项目，项目编号：ZR2025QC1380，2025-2028，主持。

澳博体育 科研启动基金，主持。

【欢迎对物理有机化学充满好奇、有志于从电子层面“看见”反应本质的你，加入我们的课题组！

不同于传统的瓶瓶罐罐，我们的实验室存在于计算机的服务器中。我们专注于运用密度泛函理论（DFT） 这一强大的理论工具，来解码有机化学反应的内在奥秘。

我们的研究内容聚焦于：

² 反应机理研究：探究复杂有机反应的详细路径，揭示决速步、中间体和选择性的根源。

² 催化模式解析：研究有机小分子催化、金属有机催化等体系，理解催化剂如何通过空间和电子效应调控反应。

² 弱相互作用分析：利用NCI等可视化手段，直观展示氢键、π-π堆积等弱相互作用在稳定过渡态中的关键作用。

² 反应预测与设计：在理解机理的基础上，尝试对现有反应进行改进，或预测新型反应的可能性，与实验组同学紧密合作，形成“理论-实验”的良性循环。

如果你：

对物理有机化学的经典概念（如芳香性、前线轨道理论）有着扎实的理解和浓厚的兴趣。

那么，欢迎你加入我们！

让我们一起，从电子密度分布出发，审视和创造化学的全新视角，探寻化学键断裂与重生的奥秘！】

科研成果：

(1) Kaifeng Wang, Xiaoguang Bao*, Computational Insights into the Photoinduced Dimeric Gold-Catalyzed Divergent Dechloroalkylation of gem-Dichloroalkanes with Alkenes, Journal of the American Chemical Society, 2024, 146, 7679−7689 .

(2) Youhao Wei,⁺ Zheng Wang,⁺ Kaifeng Wang,⁺ Jiang-Kai Qiu,* Zhaoshan Wang, Haotian Li, Xiu Duan, Kai Guo, Xiaoguang Bao,* and Xinxin Wu*, Copper-Catalyzed Radical Allene C(sp²)–H Cyanation, Angewandte Chemie International Edition. 2024, 63, e202317132.

(3) Xiu Duan,# Qihao Jin,# Kaifeng Wang,# Yifan Sun, Youhao Wei, Zheng Wang, Jiang-Kai Qiu,* Kai Guo,* Xiaoguang Bao,* and Xinxin Wu*, Copper-Catalyzed Site-Selective C(sp2)−H Alkynylation of Allenes, ACS Catalysis, 2024, 14, 13219−13226.

(4) Kaifeng Wang, Xiaoguang Bao*, Mechanistic understanding of the dual gold and photoredox-catalyzed thiosulfonylation of alkynes and enynes: a DFT study, Organic Chemistry Frontiers, 2023, 10, 2798–2807.

(5) Kaifeng Wang, Qiao Wu, Siwei Bi*, Lingjun Liu, Guang Chen, Yulin Li, Tony D. James*, Yuxia Liu*, Theoretical evaluation of the carbene-based site-selectivity in gold(III)-catalyzed annulations of alkynes with anthranils, Chemical Communications, 2021, 57, 1494–1497.

(6) Kaifeng Wang, Xiaoguang Bao*, Computational Understanding of Dual Gold and PhotoredoxCatalyzed Regioselective Thiosulfonylation of Alkenes, The Journal of Organic Chemistry, 2023, 88, 1107−1112.

(7) Kaifeng Wang, Yuxia Liu*, Qiao Wu, Lingjun Liu, Yulin Li, Tony D. James, Guang Chen, Siwei Bi*, Mechanistic insights into the origin of substituent-directed product Z–E selectivity for gold-catalyzed [4+1]-annulations of 1,4-diyn-3-ols with isoxazoles: A DFT study, Molecular Catalysis, 2020, 480, 110647–110656.

(8) Kaifeng Wang, Qiao Wu, Yuxia Liu*, Lingjun Liu, Guang Chen, Yulin Li, Siwei Bi*, Theoretical Insights into Ester-Directed Reactions between Propiolates with 1,2-Benzisoxazoles by Au(I) Catalyst: [4 + 2]-Annulation versus Michael-Type Products, Organometallics, 2020, 39, 4061–4068.

(9) Yuxia Liu*, Kaifeng Wang, Baoping Ling, Guang Chen, Yulin Li, Lingjun Liu*, Siwei Bi*, Theoretical elucidation of the multi-functional synthetic methodology for switchable Ni(0)-catalyzed C–H allylations, alkenylations and dienylations with allenes, Catalysis Science & Technology, 2020, 10, 4219–4228.

(10) Pengcheng Lian, Kaifeng Wang, Hang Liu, Ruyi Li, Minggang Li, Xiaoguang Bao,* and Xiaobing Wan*,Reacting Molecular Oxygen with Butanone under Visible Light Irradiation: A General Aerobic Oxidation of Alkenes, Sulfides,Phosphines, and Silanes, Organic. Letters. 2023, 25, 7984−7989.

(11) Zhanqun Liang, Kaifeng Wang, Qing Sun, Yuzhu Peng, Xiaoguang Bao*, Iron-catalyzed dual decarboxylative coupling of a-amino acids and dioxazolones under visible-light to access amide derivatives, Chemical Communications, 2023, 59, 752–755.

(12) Yuzhu Peng, Yujing Wang, Kaifeng Wang, Qing Sun, and Xiaoguang Bao*, Visible-Light Photocatalyzed C³−H Alkylation of 2H‑Indazoles/Indoles with Sulfoxonium Ylides via Diversified Mechanistic Pathways, ACS Catalysis. 2024, 14, 1193−1204.

(13) Xiao Wan, Jiaxin Lin, Junjie Bai, Jingjing Li, Kaifeng Wang, Zhiyu Cao, Minggang Li, Xiaoguang Bao * and Xiaobing Wan*，Interception of RCONCl2: late-stage hydrolysis and esterification of primary amides，Org. Chem. Front., 2024, 11, 183–193。