A tris-spiro metalla-aromatic system featuring Craig-Möbius aromaticity

Zhe Huang, Yongliang Zhang, Wen-Xiong Zhang, Junnian Wei (), Shengfa Ye () and Zhenfeng Xi ()
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Zhe Huang: Peking University
Yongliang Zhang: Peking University
Wen-Xiong Zhang: Peking University
Junnian Wei: Peking University
Shengfa Ye: Dalian Institute of Chemical Physics, Chinese Academy of Sciences
Zhenfeng Xi: Peking University

Nature Communications, 2021, vol. 12, issue 1, 1-7

Abstract: Abstract As aromaticity is one of the most fundamental concepts in chemistry, the construction of aromatic systems has long been an important subject. Herein, we report the synthesis and characterization of a tris-spiroaromatic complex, hexalithio spiro vanadacycle 2. The delocalization of the four electrons within the two V 3d orbitals and the π* orbitals of the three biphenyl ligands leads to a 40π Craig-Möbius aromatic system with three metalla-aromatic rings, as revealed by both experimental measurements and theoretical analyses. For comparison, if Cr is used instead of V, a similar Craig-Möbius aromatic system can not be generated. In this case, pentalithio spiro chromacycle 3 is obtained, and the Cr center uses its two 3d orbitals to form two independent metalla-aromatic rings. This work presents a type of aromatic systems that will contribute to both aromaticity theory and organometallic chemistry.

Date: 2021
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DOI: 10.1038/s41467-021-21648-9

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