Citation: Tingbo Wang, Yao Luo, Bingyan Hu, Ruiyuan Liu, Jing Miao, Huizhe Lu. Quantitative Computational Study on the Claisen Rearrangement Reaction of Allyl Phenyl Ethers: An Introduction to a Computational Chemistry Experiment[J]. University Chemistry, 2024, 39(11): 278-285. doi: 10.12461/PKU.DXHX202403082
烯丙基苯基醚Claisen重排反应的量化计算研究——介绍一个计算化学实验
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关键词:
- 计算化学实验
- / Gaussian软件
- / Claisen重排反应
- / 烯丙基苯基醚
English
Quantitative Computational Study on the Claisen Rearrangement Reaction of Allyl Phenyl Ethers: An Introduction to a Computational Chemistry Experiment
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[1]
尤梓涵, 李玉楠, 姚琪琛, 杨谦, 蔡开聪, 郑轩. 化学教育(中英文), 2023, 44 (4), 89.
-
[2]
孙冰清, 张婷, 刘磊. 化学教育(中英文), 2023, 44 (24), 103.
-
[3]
李海蓓, 戚明颖, 宋萃, 庄静静. 化学教育(中英文), 2023, 44 (4), 36.
-
[4]
Smith, M. B. March高等有机化学——反应、机理与结构. 李艳梅, 黄志平, 译. 北京:化学工业出版社, 2018:858.
-
[5]
Yadav, G. D.; Lande, S. V. Synth. Commun. 2007, 37 (66), 941.Yadav, G. D.; Lande, S. V. Synth. Commun. 2007, 37 (66), 941.
-
[6]
Corma, A. Chem. Rev. 1997, 97 (6), 2373.Corma, A. Chem. Rev. 1997, 97 (6), 2373.
-
[7]
Mokaya, R. Chem. Commun. 1997, 22, 2185.Mokaya, R. Chem. Commun. 1997, 22, 2185.
-
[8]
Lutz, R. P. Chem. Rev. 1984, 84, 205.Lutz, R. P. Chem. Rev. 1984, 84, 205.
-
[9]
Uyeda, C.; Rötheli, A.R.; Jacobsen, E. N. Angew. Chem. Int. Ed. 2010, 49, 9753.Uyeda, C.; Rötheli, A.R.; Jacobsen, E. N. Angew. Chem. Int. Ed. 2010, 49, 9753.
-
[10]
樊玲, 庞美丽, 张业云, 王彦美, 尚贞锋. 大学化学, 2024, 39 (4), 133.
-
[11]
Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98 (45), 11623.Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98 (45), 11623.
-
[12]
Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
-
[13]
Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654.Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654.
-
[14]
Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. J. Chem. Phys. 2010, 132 (15), 154104.Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. J. Chem. Phys. 2010, 132 (15), 154104.
-
[15]
Stewart, J. J. P. J. Mol. Model. 2013, 19 (1), 1.Stewart, J. J. P. J. Mol. Model. 2013, 19 (1), 1.
-
[16]
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.; et al. Gaussian 16, Revision A. 03; Gaussian, Inc.:Wallingford, CT, USA, 2016.Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.; et al. Gaussian 16, Revision A. 03; Gaussian, Inc.:Wallingford, CT, USA, 2016.
-
[17]
Dennington, R.; Keith, T. A.; Millam, J. M. GaussView, Version 6; Semichem Inc.:Shawnee Mission:KS, USA, 2016.Dennington, R.; Keith, T. A.; Millam, J. M. GaussView, Version 6; Semichem Inc.:Shawnee Mission:KS, USA, 2016.
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