Issue 46, 2011
From the journal:

Physical Chemistry Chemical Physics

Can an eight π-electron bare ring be planar?†

Gerardo Martinez-Guajardo,a   Zeferino Gómez-Saldoval,b   Daniel F. Jana,c   Patrizia Calaminici,*d   Clemence Corminboeuf*c  and  Gabriel Merino*ae  

* Corresponding authors

a Departamento de Química, Universidad de Guanajuato, Noria Alta s/n C.P. 36050, Guanajuato, Gto, Mexico
E-mail: gmerino@quijote.ugto.mx

b Facultad de Ciencias Químicas, Universidad de Colima, Carretera Colima Coquimatlán km 9 s/n, CP 28400, Coquimatlán, Colima, Mexico

c Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Batochime, Lausanne, Switzerland
E-mail: clemence.corminboeuf@epfl.ch

d Departamento de Química, CINVESTAV, Avenida Instituto Politécnico Nacional 2508, A.P. 14-740, México D.F. 07000, Mexico
E-mail: pcalamin@cinvestav.mx

e Faculty of Chemistry, Euskal Herriko Unibertsitatea and Ikerbasque, Basque Foundation for Science, 48011 Bilbao, Spain

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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Article information

DOI
https://doi.org/10.1039/C1CP22415H
Article type
Paper
Submitted
26 Jul 2011
Accepted
19 Aug 2011
First published
09 Sep 2011

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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