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报告人:朱军 教授, 厦门大学化学化工学院
时间:2019年11月11日(星期一)上午10:00-11:30
地点:北京大学A717
主请人:席振峰、张文雄
Aromaticity: Past, Present and Future
Aromaticity, one of the most fundamental concepts in chemistry, has attracted considerable attention from both theoreticians and experimentalists. However, besides metallabenzenes, other transition metal-involved aromatics are less developed. Here, we report the important rule of transition metals in several metallaaromatics by density functional theory calculations. Specifically, Craig-type Möbius aromaticity, [1-2] σ-aromaticity dominating in an unsaturated ring,
[3] hyperconjugative aromaticity[4] and adaptive aromaticity[5] are achieved due to an introduction of transition metals. [6] All these findings show a magic power of transition metals originating from participation of more electrons from d orbitals in aromaticity rather than one electron for the carbon atom, opening an avenue to the design of novel metalla-aromatics. Finally, the application of aromaticity in N2 activation will be also discussed.[7]
References
[1] Zhu, C.; Li, S.; Luo, M.; Zhou, X.; Niu, Y.; Lin, M.; Zhu, J.; Cao, Z.; Lu, X.; Wen, T.; Xie, Z.; Schleyer, P. v. R.;
Xia, H. Nat. Chem. 2013, 5, 698-703.
[2] Zhu, C.; Luo, M.; Zhu, Q.; Zhu, J.; Schleyer, P. v. R.; Wu, J. I. C.; Lu, X.; Xia, H. Nat. Commun. 2014, 5, 3265.
[3] Zhu, C.; Zhou, X.; Xing, H.; An, K.; Zhu, J.; Xia, H. Angew. Chem., Int. Ed. 2015, 54, 3102-3106.
[4] Yuan, J.; Sun, T.; He, X.; An, K.; Zhu, J.; Zhao, L. Nat. Commun. 2016, 7, 11489.
[5] Shen, T.; Chen, D.; Lin, L.; Zhu, J. J. Am. Chem. Soc. 2019, 141, 5720-5727.
[6] Chen, D.; Xie, Q.; Zhu, J. Acc. Chem. Res. 2019, 52, 1449-1460.
[7] Zhu, J, Chem. Asian J. 2019, 14, 1413-1417.
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