Do All-Metal Antiaromatic Clusters Exist?

Zhongfang Chen; Clémence Corminboeuf; Thomas Heine; Jon Bohmann; Paul Von Ragué Schleyer

doi:10.1021/ja0361392

Do All-Metal Antiaromatic Clusters Exist?

Zhongfang Chen, Clémence Corminboeuf, Thomas Heine, Jon Bohmann, Paul Von Ragué Schleyer

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

133 Citations (Scopus)

Abstract

As shown by detailed nucleus-independent chemical shift (NICS) analyses of the contributions of each molecular orbital, the very recently reported gas-phase all-metal Al₄Li₃^- anion and its relatives (Kuznetsov, A.E.; Birch, K.A.; Boldyrev, A.I.; Li, X.; Zhai, A.I.; Wang, L.S. Science 2003, 300, 622) are aromatic rather than antiaromatic. The paratropic (antiaromatic) four-π-electron contribution is overcome by the predominating diatropic effects of σ aromaticity. However, true antiaromatic all-metal clusters, such as Sn₆^2- (Schiemenz, B.; Huttner, G. Angew. Chem., Int. Ed. Engl. 1993, 32, 297), do exist.

Original language	English
Pages (from-to)	13930-13931
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	125
Issue number	46
DOIs	https://doi.org/10.1021/ja0361392
Publication status	Published - 2003 Nov 19

All Science Journal Classification (ASJC) codes

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

Access to Document

10.1021/ja0361392

Cite this

@article{b3f7b4995ad045ef95cbcc4cc1989913,

title = "Do All-Metal Antiaromatic Clusters Exist?",

abstract = "As shown by detailed nucleus-independent chemical shift (NICS) analyses of the contributions of each molecular orbital, the very recently reported gas-phase all-metal Al4Li3- anion and its relatives (Kuznetsov, A.E.; Birch, K.A.; Boldyrev, A.I.; Li, X.; Zhai, A.I.; Wang, L.S. Science 2003, 300, 622) are aromatic rather than antiaromatic. The paratropic (antiaromatic) four-π-electron contribution is overcome by the predominating diatropic effects of σ aromaticity. However, true antiaromatic all-metal clusters, such as Sn62- (Schiemenz, B.; Huttner, G. Angew. Chem., Int. Ed. Engl. 1993, 32, 297), do exist.",

author = "Zhongfang Chen and Cl{\'e}mence Corminboeuf and Thomas Heine and Jon Bohmann and {Von Ragu{\'e} Schleyer}, Paul",

year = "2003",

month = nov,

day = "19",

doi = "10.1021/ja0361392",

language = "English",

volume = "125",

pages = "13930--13931",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",