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成果及论文

97. Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment

Weikang Li, Ming Huang, Jiahao Liu, Yong-Liang Huang, Xiao-Bing Lan, Zongren Ye, Cunyuan Zhao, Yan Liu, and Zhuofeng Ke*

ACS Catal. 2021, 11, 16, 10377–10382. https://doi.org/10.1021/acscatal.1c02956

96. Mechanism of Counterion-Controlled Regioselective Hydrothiolation of 1,3-Dienes: Insights from a Density Functional Theory Study

Xiuling Wen, Xiaoyu Zhou, Weikang Li, Chao Du, Zhuofeng Ke, and Cunyuan Zhao*

ACS Catal. 2021, 11, 13, 7659–7671. https://doi.org/10.1021/acscatal.1c00125

95. Highly efficient photosynthesis of hydrogen peroxide in ambient conditions

Yu-Xin Ye, Jinhui Pan, Fangyan Xie, Li Gong,  Siming Huang, Zhuofeng Ke, Fang Zhu,  Jianqiao Xu, and Gangfeng Ouyang*.

PNAS, 2021, 118 (16), e2103964118. doi:10.1073/pnas.2103964118

94. Mechanism of Ir-Mediated Selective Pyridine o-C–H Activation: The Role of Lewis Acidic Boryl Group

Jiahao Liu, Yinwu Li, Jingxing Jiang, Yan Liu, and Zhuofeng Ke*

ACS Catal. 2021, 11, 10, 6186–6192, https://pubs.acs.org/doi/abs/10.1021/acscatal.1c00310

93. Photocatalyzed cycloaromatization of vinylsilanes with arylsulfonylazides

 Fengjuan Chen, Youxiang Shao, Mengke Li, Can Yang, Shi-Jian Su*, Huanfeng Jiang, Zhuofeng Ke* & Wei Zeng* 

Nat Commun 12, 3304 (2021). https://doi.org/10.1038/s41467-021-23326-2

92. Recent Progress in Electro- and Photo-Catalytic CO2 Reduction Using N-heterocyclic Carbene Transition Metal Complexes

Can Huang, Jiahao Liu, Hai-Hua Huang,Zhuofeng Ke*.

Polyhedron, 2021https://doi.org/10.1016/j.poly.2021.115147

     

91. Anion ordering and vacancy defects in niobium perovskite oxynitrides.

Joshua J. Browna, Youxiang Shao, Zhuofeng Ke and Alister J. Page*

Mater. Adv., 2021, Advance Article, https://doi.org/10.1039/D1MA00122A

90. Tungsten‐Catalyzed Direct N‐Alkylation of Anilines with Alcohols.

Xiao‐Bing Lan, Zongren Ye, Chenhui Yang, Weikang Li, Jiahao Liu, Ming Huang, Yan Liu*, Zhuofeng Ke*.

ChemSusChem, 2021, 14, 860-865. https://doi.org/10.1002/cssc.202002830

89. Diazadiborinine as an ambiphilic catalyst for metal-free hydrogenation: a computational study on the structural design and reaction mechanism.

Youxiang Shao, Ming Huang, Fenglong Gu, Cunyuan Zhao, Ling-Bo Qud and Zhuofeng Ke*

DOI: 10.1039/D0QO01510E. Org. Chem. Front., 2021, Advance Article

88. Recent advances on N-heterocyclic carbene transition metal complexes for dehydrogenative catalysis using alcohols.

Ming Huang, Jiahao Liu, Yinwu Li, Xiao-Bing Lan, PeifengSu, Cunyuan Zhao, Zhuofeng Ke*

https://doi.org/10.1016/j.cattod.2020.10.022

87. Stabilization of maneb group by ethylenediamine and direct-determination by liquid chromatography tandem mass spectrometry.

  Yuanjia Chen(#), ZhuofengKe(#), ZhenlinXu, Weilong Huang, Yuanming Sun, Hongtao Lei, XiaoqunWei.

Food Chemistry 345 (2021) 128774

86. From carbones to carbenes and ylides in the coordination sphere of iridium.

   Yinwu Li, Leon Maser, Lukas Alig, Zhuofeng Ke * and Robert Langer*

DOI: 10.1039/D0DT03942J. Dalton Trans., 2021, 50, 954-959

85. Electronic Effect on Bimetallic Catalysts: Cleavage of Phosphodiester Mediated by Fe(III)–Zn(II) Purple Acid Phosphatase Mimics

   Xiaoyu Zhou, Xue-Peng Zhang, Weikang Li, David Lee Phillips, Zhuofeng Ke, and Cunyuan Zhao*

  Inorg. Chem. 2020, 59, 17, 12065–12074. DOI: 10.1021/acs.inorgchem.0c01011

84. Dual roles of the electronic effect on selectivity: pincer nickel-electrocatalyzed CO2 reduction.

   Hai-Hua Huang, Miao Da, Lianglin Liu, Jiahao Liu, Cunyuan Zhao, Arumugam Vignesh and Zhuofeng Ke*

DOI: 10.1039/D0CY01832E. Catal. Sci. Technol., 2021, 11, 874-885

83. External Photocatalyst-free, Visible Light-Promoted 1,3-Addition of Perfluoroalkyl Iodides to Vinyldiazoacetates

    Weiyu Li, Xiaoyu Zhou, Tiebo Xiao, Zhuofeng Ke*, and Lei Zhou*

CCS Chemistry, 2021, online. https://doi.org/10.31635/ccschem.021.202000713

82. Visible-Light-Induced Amination of Quinoline at the C8 Position via a Postcoordinated Interligand-Coupling Strategy under Mild Conditions.

He-Long Peng, Yinwu Li, Xing-Yang Chen, Li-Ping Li, Zhuofeng Ke*, and Bao-Hui Ye*

Inorg. Chem. 2021, 60, 2, 908–918. DOI:10.1021/acs.inorgchem.0c03026


81. Incorporation of H2O and CO2 into a BN-embedded 3aH-3a1H-acephenanthrylene derivative.

   Rui Guo, Jingxing Jiang, Zhuofeng Ke*, Chen-Ho Tung and Lingbing Kong*.

  DOI: 10.1039/D0CC07276A. Chem. Commun., 2021, 57, 1226-1229.

80. The potential of d6 non-noble metal NHC catalysts for carbon dioxide hydrogenation: group and row effects.

    Yaru Jing, Zongren Ye, Jiaqi Su, Yishun Feng, Ling-Bo Qu, Yan Liu* and Zhuofeng Ke*

    Catal. Sci. Technol., 2020, 10, 5443-5447. DOI: 10.1039/D0CY01125H 

    

 79. Direct Carbon–Carbon σ Bond Amination of Unstrained Arylalkylketones.

     Xinwei Hu, Youxiang Shao, Haisheng Xie*, Xin Chen, Fengjuan Chen, Zhuofeng Ke*, Huanfeng Jiang, and Wei Zeng*

    ACS Catal. 2020, 10, XXX, 8402–8408. doi:10.1021/acscatal.0c02683

    

 78. BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes

     Rui Guo, Jingxing Jiang, Chenyang Hu, Liu Leo Liu, Ping Cui, Meihua Zhao, Zhuofeng Ke*, Chen-Ho Tung  and  Lingbing Kong*.

     Chem. Sci., 2020, Advance Article. doi:10.1039/D0SC02162H

     

 77. Defect engineering for photocatalysis: from ternary to perovskite oxynitrides.

     Joshua J. Brown, Zhuofeng Ke, Tianyi Ma, Alister J. Page.

     ChemNanoMat, 2020, 6(5), 708-719.  doi: 10.1002/cnma.201900703

 76.  Sustainable and Selective Alkylation of Deactivated Secondary Alcohols to Ketones by Non‐bifunctional Pincer N‐heterocyclic Carbene Manganese.

     Xiao‐Bing Lan, Zongren Ye, Jiahao Liu, Ming Huang, Youxiang Shao, Xiang Cai, Yan Liu*, Zhuofeng Ke*

    ChemSusChem, 2020, 13, 2557-2563. doi:10.1002/cssc.202000576

   75. Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.  

      Pan-Ting Tang,(#)   You-Xiang Shao,(#) Liang-Neng Wang, Yi Wei,   Ming Li,   Ni-Juan Zhang, Xiao-Peng Luo,  Zhuofeng Ke, Yue-Jin   Liu* and Ming-Hua Zeng*.  

    Chem. Commun., 2020, doi: 10.1039/C9CC10080F

  74. Highly efficient and selective photocatalytic CO2 to CO conversion in aqueous solution。

Xiaomin Chai,  Hai-Hua Huang, Huiping Liu,  Zhuofeng Ke,* Wen-Wen Yong, Ming-Tian Zhang,* Yuan-Sheng Cheng, Xian-Wen Wei,  Liyan Zhang and  Guozan Yuan*。

   Chem. Commun., 2020, 56, 3851-3854. https://doi.org/10.1039/D0CC00879F

    73. Bifurcated Hydrogen-Bond-Stabilized Boron Analogues of Carboxylic Acids

Rui Guo, Xiao Huang, Meihua Zhao, Yusheng Lei, Zhuofeng Ke*, Lingbing Kong*

Inorg. Chem. 2019, 58, 13370-13375


72. Metallalkenyl, Metallacyclopropene, or Metallallylcarbenoid? Ru-Catalyzed Annulation between Benzoic Acid and Alkyne

 Jingxing Jiang, Honghu Liu, Lili Cao, Cunyuan Zhao, Yan Liu*, Yan Liu, Lutz Ackermann*, Zhuofeng Ke*

ACS Catal. 2019, 9, 9387-9392


71. Nonbifunctional Outer-Sphere Strategy Achieved Highly Active α-Alkylation of Ketones with Alcohols by N-Heterocyclic Carbene Manganese (NHC-Mn)

Xiao-Bing Lan, Zongren Ye, Ming Huang, Jiahao Liu, Yan Liu*, Zhuofeng Ke*

Org. Lett. 2019, 21, 8065-8070.


70. Lewis Acid Transition Metal Catalyzed Hydrogen Activation: Structure, Mechanism, and Reactivity.

Yinwu Li, Jiahao Liu, Xiao Huang, Ling-Bo Qu, Cunyuan Zhao, Robert Langer, Zhuofeng Ke*

Chem. Eur. J, accepted 

69. Redox-Active, Boron-Based Ligands in Iron Complexes with Inverted Hydride Reactivity in Dehydrogenation Catalysis.

Andreas Backer, Yinwu Li, Maximilian Fritz, Maik Gratz,  Zhuofeng Ke,* and Robert Langer*

ACS Catal. 2019, 9, 7300−7309. 

68. Room Temperature N-Heterocyclic Carbene Manganese Catalyzed Selective N-Alkylation of Anilines with Alcohols.

Ming Huang, Yukui Li , Yinwu Li , Jiahao Liu , Siwei Shu , Yan Liu and Zhuofeng Ke*.

Chem. Commun., 2019, 55, 6213-6216. 

 

67. Mechanism of Si–H Bond Activation for Lewis Acid PBP-Ni-Catalyzed Hydrosilylation of CO2: The Role of the Linear SN2 Type Cooperation.

Xiao Huang, Kexin Zhang, Youxiang Shao, Yinwu Li, Fenglong Gu, Ling-Bo Qu, Cunyuan Zhao, and Zhuofeng Ke*.

ACS Catal.,  2019, 9, 5279–5289.

 

66. Co(II)-Catalyzed Regioselective Pyridine C–H Coupling with Diazoacetates.

Haisheng Xie, Youxiang Shao, Jiao Gui, Jianyong Lan, Zhipeng Liu, Zhuofeng Ke*, Yuanfu Deng, Huanfeng Jiang, and Wei Zeng*,

Org. Lett., 2019, 21, 3427–3430.

 

65. New Phosphorene by Phase Combination with Tunable Electronic and Mechanical Properties.

Geng, W., Xiao, J., Brown, J. J., Page, A. J., Ke, Z*.

J. Phys. Chem. C, 2019, 123, 10788–10794

 

64. Catalyzed or Non-Catalyzed: Chemoselectivity of Ru-Catalyzed Acceptorless Dehydrogenative Coupling of Alcohol and Amine via Metal-Ligand Bond Cooperation and (De) aromatization.

Shu, S., Huang, M., Jiang, J., Qu, L., Liu, Y., & Ke, Z*.

Catal. Sci. Technol, 2019,  9, 2305-2314

 

63. Ligands Effect on Chemoselective Control in One Catalyst Multiple Steps: Ru Catalyzed anti-Markovnikov Reductive Hydration of Terminal Alkynes.

Ye, Z., Huang, X., Shao, Y., Jiang, J., Qu, L., Zhao, C., & Ke, Z*.

Catal. Sci. Technol, 2019, 9, 2315-2327

 

62. Stereoselective synthesis of sulfur-containing β-enaminonitrile derivatives through electrochemical Csp 3–H bond oxidative functionalization of acetonitrile.

He, T. J., Ye, Z., Ke, Z*., & Huang, J. M.

Nature Communications, 2019, 10, 833

 

61. Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C (sp2)-H Borylation of Diarylmethylamines.

Zou, X., Zhao, H., Li, Y., Gao, Q., Ke, Z*., Xu, S.*

J. Am. Chem. Soc.  2019, 141, 5334–5342

 

60. Bifunctional Strategy to N-Heterocyclic Carbene Stabilized Iridium Complex Catalyzed N-Alkylation of Amines with Alcohols in Aqueous.

Huang, M., Li, Y.W., Liu, J.H., Lan, X.-B., Liu, Y., Zhao, C.Y., Ke, Zhuofeng*.

Green Chem., 2019, 21(2), 219-224.

 

59. Co(I) and Ni(II) Pincer Complexes Catalyzed Hydrogenation of Ketone: Intriguing Mechanism Dichotomy by Ligand Field Variation

Hou, C., Li, Y.W., Jiang, J.X., Zhao, C.Y.,* Ke, Zhuofeng.*

Catal. Sci. Technol., 2019, 9(1), 125-135.

 

58. Mechanism of Hypervalent Iodine Promoted Fluorocyclization of Unsaturated Alcohols: Metathesis via Double Acids Activation.

Shu S.W., Li, Y.W., Jiang, J.X., Ke, Zhuofeng,* Liu, Y.*

J. Org. Chem., 2019, 84(1), 458-462.

 

57. Zwitterionic Copolymerization of β-Butyrolactone with Styrene.

Xiao, M., Jiang, J., Zhang, T., Xu, A., Ke, Zhuofeng,* & Hong, L.*

Macromol. Chem. Phys., 2018, 219, 1800189, doi:10.1002/macp.201800189

 

56. Homogeneously catalyzed hydrogenation and dehydrogenation reactions – From a mechanistic point of view.

Ke, Zhuofeng,* Li, Y., Hou, C. & Liu, Y.

Physical Sciences Reviews, 2018, 3, 20170038

 

55. Elucidating Metal Hydride Reactivity Using Late Transition Metal Boryl and Borane Hydrides: 2c-2e Terminal Hydride, 3c-2e Bridging Hydride, and 3c-4e Bridging Hydride.

Li, Y.W., Liu, J.H., Hou, C., Shao Y.X., Qu L.-B., Zhao C.Y., Ke, Zhuofeng.*

Catal. Sci. Technol., 2018, 8, 3395-3405

54. Regulating the Optoelectronic Properties of Nickel Dithiolene by the Substituents: A Theoretical Study.

Sun, L.L., Shu, S.W., Zhou, Y., Hou S.,* Liu, Y. and Ke, Zhuofeng.*

Materials, 2018, 11, 2192; doi:10.3390/ma11112192

 

53. Diastereoselectivity in a cyclic secondary amine catalyzed asymmetric Mannich reaction: a model rationalization from DFT studies.

Shu S.W., Liu, Z., Li, Y.K., Ke, Zhuofeng,* Liu, Y.*

Org. Chem. Front., 2018, 5, 2148-2157

 

52. Making more efficient lithium carbenoid reagents for cyclopropanation by hetero-aggregation: A DFT prediction on a new factor to control the SN2-Type organometallic reaction. Invited paper.

Shao, Y., Huang, X., Zhao, C.* & Ke, Zhuofeng.*

J. Organomet. Chem. 2018, 864, 110-114.

 

51. Rational design of FLP catalysts for reversible H 2 activation: A DFT study of the geometric and electronic effects. Invited paper.

Zhang, J., Shao, Y., Li, Y., Liu, Y.* & Ke, Zhuofeng.*

Chin. Chem. Lett. 2018, 29, 1226-1232

 

50. Frustrated Lewis Pair Catalyzed C–H Activation of Heteroarenes: A Stepwise Carbene Mechanism Due to Distance Effect.

Youxiang Shao; Jianyu Zhang; Yinwu Li; Yan Liu*; Zhuofeng Ke*

Org. Lett., 2018, 20, 1102-1105

 

49. Co(III)-Catalyzed Coupling-Cyclization of Aryl C-H Bonds with a-Diazoketones Involving Wolff Rearrangement.

Hu, X., Chen, X., Shao, Y.X., Xie, H.S., Deng, Y.F., Ke, Zhuofeng,* Jiang H.F., Zeng W.*

ACS Catal., 2018, 8, 1308–1312

 

48. Rh(III)-catalyzed regioselective intermolecular N-methylene Csp3–H bond carbenoid insertion

Xie, H.S., Ye, Z.R., Ke, Zhuofeng*, Jiang, H.F.*, Zeng, W.*

Chem. Sci., 2018 ,9, 985-989

 

47. DFT Study of CO2 Hydrogenation Catalyzed by a Cobalt-Base System: an Unexpected Formate Anion Assisted Deprotonation Mechanism.

Zhang, Z.H., Li, Y.W., Hou C., Zhao, C.Y., Ke, Zhuofeng*

Catal. Sci. Technol., 2018, 8, 656-666

 

46. Further insight into the electrocatalytic water oxidation by macrocyclic nickel(II) complexes: the influence of steric effect on the catalytic activity.

Wang, J.-W., Hou, C., Huang, H.-H., Liu W.-J., Ke, Zhuofeng,* Lu, T.-B.*

Catal. Sci. Technol., 2017, 7, 5585-5593

 

45. The effect of auxiliary ligand on the mechanism and reactivity: DFT study on H2 activation by Lewis acid–transition metal complex (trisIJphosphino)borane)FeIJL)

Zhang, J. Y., Lin, J. S., L Y. W., Shao Y. X., Huang X., Zhao C. Y., Ke, Zhuofeng.*

Catal. Sci. Technol., 2017, 7, 4866-4878.

 

44. Boron-Based Lewis Acid Transition Metal Complexes as Potential Bifunctional Catalysts.

Li, Y., Zhang, J., Shu, S., Shao Y., Liu, Y.*, Ke, Zhuofeng,*

Chin. J. Org. Chem. 2017, 37, 2187-2202

 

43. Bulky α-diimine palladium complexes: highly efficient for direct C–H bond arylation of heteroarenes under aerobic conditions dimine arylation.

Ouyang, J.-S., Li, Y.-F., Shen D.-S., Ke, Zhuofeng*, Liu F.-S.*

Dalton Trans. 2016, 45, 14919-14927.

 

42. Iridium(III)-Catalyzed Regioselective Intermolecular Unactivated Secondary Csp3H Bond Amidation.

Xiao X., Hou C., Zhang Z., Ke Zhuofeng*, Lan J., Jiang H., Zeng W.*

Angew. Chem., Int. Ed. 2016, 55, 11897-11901.

 

41. DFT Study of Acceptorless Alcohol Dehydrogenation Mediated by Ruthenium Pincer Complexes: Ligand Tautomerization Governing Metal Ligand Cooperation.

Hou, C., Jiang, J., Li, Y., Zhang, Z., Zhao C.*, Ke, Zhuofeng*.

Inorg. Chem. 2016,55, 6539-6551.

 

40. Rationalization of the Selectivity between 1,3- and 1,2-Migration: DFT Study on Gold(I)-Catalyzed Propargylic Ester Rearrangement.

Jiang, J., Liu, Y., Hou, C., Li, Y., Luan, Z., Zhao C., and Ke, Zhuofeng*.

Org. Biomol. Chem., 2016, 14, 3558–3563.

 

39. A Theoretical Study of Dirhodium-Catalyzed Intramolecular Aliphatic CH Bond Amination of Aryl Azides.

Xu, H., Zhang, X., Ke, Zhuofeng*, Zhao, C.*

RSC Adv. 2016, 6, 29045–29053

 

38. General H2 Activation Modes for Lewis Acid-Transition Metal Bifunctional Catalysts.

Li, Y., Hou, C., Jiang, J., Zhang, Z., Zhao, C., Page, A., Ke, Zhuofeng*.

ACS Catal. 2016, 6, 1655–1662.

 

37. Copper-Catalyzed Carbamoylation of Terminal Alkynes with Formamides via Cross-Dehydrogenative Coupling.

Wu, J.J, Li, Y., Zhou, H.Y., Wen, A.H., Lun, C.C., Yao, S.Y., Ke, Zhuofeng*, Ye, B.H.*.

ACS Catal. 2016, 6, 1263–1267.

 

36. Copper-Catalyzed Regioselective C-H Sulfonylation of 8-Aminoquinolines.

Wei J., Jiang J., Xiao X., Lin D.G.*, Deng Y., Ke, Zhuofeng*, Jiang H.F., Zeng, W*.

J. Org. Chem. 2016, 81, 946–955

 

35. Aerobic and Efficient Direct Arylation of Five-Membered Heteroarenes and Their Benzocondensed Derivatives with Aryl Bromides by Bulky α-Hydroxyimine Palladium Complexes.

Luo, B.-T., Liu H., Lin Z.-J., Jiang, J., Sheng D.-S., Liu R.-Z., Ke, Zhuofeng*, Liu, F.-S.*

Organometallics, 2015, 34, 4881–4894.

 

34. Unusual Non-bifunctional Mechanism for Co-PNP Complex Catalyzed Transfer Hydrogenation Governed by the Electronic Configuration of Metal Center.

Hou, C., Jiang, J., Li, Y., Zhang, Z., Zhao C.*, Ke Zhuofeng*.

Dalton Trans. 2015, 44, 16573-16585.

 

33. The ONIOM Method and Its Applications.

Chung, L. W., Sameera, W. M. C., Ramozzi, R., Page, A. J., Hatanaka, M., Petrova, G. P., Harris, T. V., Li X., Ke, Zhuofeng, Liu, F., Li, H.-B., Ding, L., Morokuma, K.*

Chem. Rev. 2015, 15, 5678–5796.

 

32. Removal of NO with silicene: A DFT investigation.

Xu, X.-Y., Li, J., Zhang, X., Xu, H., Ke, Zhuo-Feng*, Zhao, C.*

RSC Adv. 2015, 5, 22135–22147.

 

31. The Effect of HSAB on Stereoselectivity: Copper and Gold Catalyzed 1,3-Phosphatyloxy and 1,3-Halogen Migration Relay to 1,3-Dienes.

Jiang, J., Hou, C., Zhang S., Luan Z., Zhao, C., Ke Zhuofeng.*

J. Org. Chem. 2015, 80, 1661-1671.

 

30. Nonplanar Organic Sensitizers Featuring a Tetraphenylethene Structure and Double Electron-Withdrawing Anchoring Groups.

Zhang, F., Fan, J., Yu, H., Ke, Zhuofeng, Nie, C., Kuang, D.*, Shago, G.*, Su C.

J. Org. Chem., 2015, 80, 9034–9040

 

29. Homogeneous Electrocatalytic Water Oxidation at Neutral pH by a Robust Macrocyclic Nickel(II) Complex.

Zhang, M., Zhang, M.-T., Hou, C., Ke, Zhuofeng*, Lu T.-B.*

Angew. Chem., Int. Ed. 2014, 53, 13042 –13048.

 

28. Hydrogenation of Carbon Dioxide Using Half-Sandwich Cobalt, Rhodium, and Iridium Complexes: DFT Study on the Mechanism and Metal Effect.

Hou, C., Jiang J., Zhang S., Wang G., Zhang Z., Ke, Zhuofeng*, Zhao C.*

ACS Catal. 2014, 4, 2990–2997.

 

27. Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity.

Zhou, Y.G., Zhang, X.P., Liang H.Y., Cao Z.K., Zhao X.Y., He Y.W., Wang S.L., Pang J.Y., Zhou Z.Y., Ke, Zhuofeng*, Qiu L.Q.*

ACS Catal. 2014, 4, 1390–1397.

 

26. The origin of enantioselectivity for intramolecular Friedel–Crafts reaction catalyzed by supramolecular Cu/DNA catalyst complex.

Petrovaa, G.P., Ke, Zhuofeng, Park S., Sugiyama H., Morokum K.*

Chem. Phys. Lett. 2014, 600, 87-95.

 

25. Mechanism and Enantioselectivity of Dirhodium-Catalyzed Intramolecular C–H Amination of Sulfamate.

Zhang, X., Ke, Zhuofeng, DeYonker N. J., Xu, H., Li Z.-F., Xu X., Zhang X., Su C.-Y., Phillips D. L., Zhao C.*

J. Org. Chem. 2013, 78, 12460–12468.

 

24. Binding Mechanism and Synergetic Effects of Xanthone Derivatives as Noncompetitive α-Glucosidase Inhibitors: A Theoretical and Experimental Study.

Liu, Y., Ma, L., Chen, W.-H.*, Park, H., Ke, Zhuofeng*, Wang, B*

J. Phys. Chem. B 2013, 117, 13464 -13471.

 

23. Histone-Deacetylase-Targeted Fluorescent Ruthenium(II) Polypyridyl Complexes as Potent Anticancer Agents.

Chem. Eur. J. 2013, 19, 10160 – 10169

Ye, R.-R., Ke, Zhuofeng, Tan, C.-P., He, L., Ji, L.-N. & Mao, Z.-W.

 

22. Density functional theory study of the mechanism of zinc carbenoid promoted cyclopropanation of allenamides.

Xu, H. Y., Zhang, X. T., Ke, Zhuofeng, Li, Z. F., Xu, X. Y., Su, C. Y., Phillips, D. L. & Zhao, C. Y.

Rsc Adv. 2013, 3,17131-17142.

 

21. Catalytic Mechanism in Artificial Metalloenzyme: QM/MM Study of Phenylacetylene Polymerization by Rhodium Complex Encapsulated in apo-Ferritin.

Ke, Zhuofeng, Abe, S., Ueno, T., & Morokuma, Keiji,

J. Am. Chem. Soc. 2012, 134, 15418–15429.

 

20. Rh-catalyzed Polymerization of Phenylacetylene: Theoretical Studies of the Reaction Mechanism, Regioselectivity and Stereoregularity.

Ke, Zhuofeng, Abe, S., Ueno, T., & Morokuma, Keiji

J. Am. Chem. Soc. 2011, 133, 7926-7941.

 

19. Betulinic Acid-Polyphenol Conjugates as HIV Inhibitors Targeting gp41.

   Liu, Y., Ke, Zhuofeng, Liu, Shuwen, Chen, Wen-Hua, Jiang, Shibo; Jiang, Zhi-Hong.

ChemMedChem 2011, 6 (9), 1654- 1664.

18. Rh-catalyzed polymerization in bionano cavity of apo-ferritin

Ke, Zhuofeng.; Morokuma, K.*; Ueno, T.; Abe, S.

Abstr. Pap. Am. Chem. S. 2011, 241,

 

17. Palladium-Catalyzed C-H Activation/C-N Bond Formation Reactions: DFT Study of Reaction Mechanisms and Reactive Intermediates.

Ke, Zhuofeng & Cundari, T.R.,

Organometallics 2010, 29, 821-834

 

16. Six-, Five-, and Four-Coordinate Ruthenium(II) Hydride Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis, Characterization, Fundamental Reactivity, and Catalytic Hydrogenation of Olefins, Aldehydes, and Ketones.

Lee, J.P., Ke, Zhuofeng, Ramirez, M.A., Gunnoe, T.B., Cundari, T.R., Boyle, P.D., & Petersen, J.L.

Organometallics 2009, 28, 1758-1775.

 

15. Influence of Water Hydrogen Bonding on the Reactions of Arylnitrenium Ions With Guanosine: Hydrogen-Bonding Effects Can Favor Reaction at the C8 Site.

Guo, Z., Xue, J.D., Ke, Zhuofeng, Phillips, D.L., & Zhao, C.Y.

J. Phys. Chem. B 2009, 113, 6528-6532.

 

14. Ru(II) Catalysts Supported by Hydridotris(pyrazolyl)borate for the Hydroarylation of Olefins: Reaction Scope, Mechanistic Studies, and Guides for the Development of Improved Catalysts.

Foley, N.A., Lee, J.P., Ke, Zhuofeng, Gunnoe, T.B., & Cundari, T.R.

Acc. Chem. Res. 2009, 42, 585-597.

 

13. Synthesis, inhibitory activities, and QSAR study of xanthone derivatives as alpha-glucosidase inhibitors.

Liu, Y., Ke, Zhuofeng, Cui, J.F., Chen, W.H., Ma, L., & Wang, B.

Bioorg. Med. Chem. 2008, 16, 7185-7192.

 

12. Intrinsic reaction coordinate analysis of the activation of CH4 by molybdenum atoms: A density functional theory study of the crossing seams of the potential energy surfaces.

Guo, Z., Ke, Zhuofeng, Phillips, D.L., & Zhao, C.Y.

Organometallics 2008, 27, 181-188.

 

11. Aromatic C-H activation and catalytic hydrophenylation of ethylene by TpRu{P(OCH2)(3)CEt}(NCMe)Ph.

Foley, N.A., Ke, Zhuofeng, Gunnoe, T.B., Cundari, T.R., & Petersen, J.L.

Organometallics, 2008, 27, 3007-3017.

 

10. A DFT study on the mechanism of Rh-2(II,II)-catalyzed intramolecular amidation of carbamates.

Lin, X.F., Zhao, C.Y., Che, C.M., Ke, Zhuofeng, & Phillips, D.L.

Chem- Asian J. 2007, 2, 1101-1108.

 

9. On the mechanism and stereochemistry of chiral lithium-carbenoid-promoted cyclopropanation reactions.

Ke, Zhuofeng, Zhou, Y.B., Gao, H., Zhao, C.Y., & Phillips, D.L.

Chemi-Eur J. 2007, 13, 6724-6731.

 

8. Drastic ligand electronic effect on anilido-imino nickel catalysts toward ethylene polymerization.

Ke, Zhuofeng, Zhao, C.Y., & Phillips, D.L.

J. Org. Chem. 2007, 72, 848-860.

 

7. Concurrent cyclopropanation by carbenes and carbanions? A density functional theory study on the reaction pathways.

Fang, R., Ke, Zhuofeng, Shen, Y., Zhao, C.Y., & Phillips, D.L

J. Org. Chem. 2007, 2, 5139-5145.

 

6.  A theoretical study on the mechanism of ruthenium(II)-catalyzed reaction of organic azide with alkyne.

Zhou, Y.B., Ke, Zhuofeng, & Zhao, C.Y.

Acta Chim. Sin. 2006, 64, 2071-2078.

 

5. Ethylene polymerization and oligomerization catalyzed by bulky beta-diketiminato Ni(II) and beta-diimine Ni(II) complexes/methylaluminoxane systems.

Zhang, J.K., Ke, Zhuofeng, Bao, F., Long, J.M., Gao, H.Y., Zhu, F.M., & Wu, Q

J. Mol. Catal A-Chem. 2006, 249, 31-39

4. Low VOC bifunctional photoinitiator based on alpha-hydroxyalkylphenone structure.

  Ye, G.D., Ke, Zhuofeng, Yan, J.W., Zhao, T.Y., Zeng, Z.H., & Chen, Y.L.

Polymer 2006, 47, 4603-4612.

 

3. A density functional theory study of aluminum carbenoid (CH3)(2)AlCH2X (X = Cl, Br, I) promoted cyclopropanation reactions compared to IMCH2I (M = Li, Sm, Zn) carbenoids

Li, Z.H., Ke, Zhuofeng, Zhao, C.Y., Geng, Z.Y., Wang, Y.C., & Phillips, D.L.

Organometallics 2006, 25, 3735-3742.

 

2. Investigation of 1-hexene isomerization and oligomerization catalyzed with beta-diketiminato Ni(II) bromide complexes/methylaluminoxane system.

Zhang, J.K., Gao, H.Y., Ke, Zhuofeng, Bao, F., Zhu, F.M., & Wu, Q.

J. Mol. Catal A-Chem. 2005, 231, 27-34.

 

1. Vinyl polymerization of norbornene catalyzed by bulky beta-diimine nickel complexes..

  Zhang, J.K., Gao, H.Y., Ke, Zhuofeng, He, X.H., & Wu, Q

  Abstr. Pap. Am. Chem. Soc. 2004, 228, U472-U472.