CAl4Be and CAl3Be2−: global minima with a planar pentacoordinate carbon atom

J. Oscar C. Jimenez-Halla; Yan-Bo Wu; Zhi-Xiang Wang; Rafael Islas; Thomas Heine; Gabriel Merino

doi:10.1039/C0CC03479G

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CAl₄Be and CAl₃Be₂⁻: global minima with a planar pentacoordinate carbon atom†‡

J. Oscar C. Jimenez-Halla,^a Yan-Bo Wu,^b Zhi-Xiang Wang,*^b Rafael Islas,^a Thomas Heine*^c and Gabriel Merino*^a

Author affiliations

* Corresponding authors

^a Departamento de Química, Universidad de Guanajuato, Noria Alta s/n, 36050 Guanajuato, Mexico
E-mail: gmerino@quijote.ugto.mx
Fax: +52 473 7320006 ext. 8120
Tel: +52 473 7320006 ext. 1433

^b College of Chemistry and Chemical Engineering, Graduate University of Chinese Academy of Sciences, Beijing, P. R. China
E-mail: zxwang@gucas.ac.cn

^c School of Engineering and Science, Jacobs University Bremen, Bremen, Germany
E-mail: t.heine@jacobs-university.de
Fax: +49 421 200 49 3223
Tel: +49 421 200 3223

Abstract

Theoretical evidence for the first neutral and anionic global-minimum structures possessing a planar pentacoordinate carbon is reported.

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Supplementary files

Cartesian coordinates of the optimized geometries at different levels of theory and Fig. SM-1 and SM-2 of the lowest-in-energy isomers of these species PDF (813K)

Article information

DOI: https://doi.org/10.1039/C0CC03479G
Article type: Communication
Submitted: 25 Aug 2010
Accepted: 29 Sep 2010
First published: 20 Oct 2010

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Chem. Commun., 2010,46, 8776-8778

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CAl₄Be and CAl₃Be₂⁻: global minima with a planar pentacoordinate carbon atom

J. O. C. Jimenez-Halla, Y. Wu, Z. Wang, R. Islas, T. Heine and G. Merino, Chem. Commun., 2010, 46, 8776 DOI: 10.1039/C0CC03479G

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