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Issue 46, 2011
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Can an eight π-electron bare ring be planar?

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Abstract

Here we explore in silico an alternative to make planar eight π-electron bare ring systems with substitutions of some cyclooctatetraene ring carbon atoms by heavier group 14 elements. We found that the most stable eight membered rings with formulae C4Si4H8, C4Ge4H8, and C4Sn4H8 have a perfect planar structure, enhancing delocalization energy as compared to cot.

Graphical abstract: Can an eight π-electron bare ring be planar?

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Publication details

The article was received on 26 Jul 2011, accepted on 19 Aug 2011 and first published on 09 Sep 2011


Article type: Paper
DOI: 10.1039/C1CP22415H
Phys. Chem. Chem. Phys., 2011,13, 20615-20619

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    Can an eight π-electron bare ring be planar?

    G. Martinez-Guajardo, Z. Gómez-Saldoval, D. F. Jana, P. Calaminici, C. Corminboeuf and G. Merino, Phys. Chem. Chem. Phys., 2011, 13, 20615
    DOI: 10.1039/C1CP22415H

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