Literature DB >> 14611208

Do all-metal antiaromatic clusters exist?

Zhongfang Chen1, Clémence Corminboeuf, Thomas Heine, Jon Bohmann, Paul von Ragué Schleyer.   

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-pi-electron contribution is overcome by the predominating diatropic effects of sigma aromaticity. However, true antiaromatic all-metal clusters, such as Sn62- (Schiemenz, B.; Huttner, G. Angew. Chem., Int. Ed. Engl. 1993, 32, 297), do exist.

Entities:  

Year:  2003        PMID: 14611208     DOI: 10.1021/ja0361392

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  2 in total

1.  Ab initio molecular orbital and density functional studies on the ring-opening reaction of oxetene.

Authors:  S Jayaprakash; Jebakumar Jeevanandam; K Subramani
Journal:  J Mol Model       Date:  2014-11-05       Impact factor: 1.810

2.  Molecular structure and electron distribution of 4-nitropyridine N-oxide: Experimental and theoretical study of substituent effects.

Authors:  Natalya V Belova; Oleg A Pimenov; Vitaliya E Kotova; Georgiy V Girichev
Journal:  J Mol Struct       Date:  2020-05-17       Impact factor: 3.196

  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.