Theoretical study on [3]- and [4]radialene complexes CpM(C_2nH_2n) (n = 3, 4; M = Sc∼Ni): Special metal-aromatic interaction along with metal-alkene bonds

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• 作者：Nannan Liu^a ; ^{liunannyl@163.com} ; Shuang Yu^b ; Yihong Ding^b ; ^{yhdd@jlu.edu.cn}
• 关键词：Organometallic ; Cross-conjugated ; Y-aromaticity ; C6H6 ; C8H8
• 刊名：Journal of Organometallic Chemistry
• 出版年：2017
• 出版时间：1 January 2017
• 年：2017
• 卷：828
• 期：Complete
• 页码：75-82
• 全文大小：3284 K
• 卷排序：828

文摘

[3]radialene might be Y-aromatic instead of traditionally cyclic aromatic. The LUMO of radialene reshapes to be cyclic aromatic when forming a dative bond. The metal-aromatic interaction may exist between metal and radialene in CpM(C2nH2n).