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Issue 17, 2016
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10-π-Electron arenes à la carte: structure and bonding of the [E–(CnHn)–E]n−6 (E = Ca, Sr, Ba; n = 6–8) complexes

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Abstract

In this paper, we provide solid evidence to show that among an overwhelming structural diversity, alkaline earth metals (Ca, Sr, Ba) have the ability to form inverted sandwich compounds with C6H6, C7H7+, and C8H82+ of Dnh symmetry and general formula [E–(CnHn)–E]n−6 (n = 6–8) with planar 10-π-electron aromatic cores by virtue of transferring two electrons per metal atom to the ring. However, the origin of the orbital interaction between the metals and the carbon ring is quite different; while [E–(C6H6)–E] complexes are dominated by δ-interactions, both π- and δ-interactions are important in [E–(C7H7)–E]+ and [E–(C8H8)–E]2+ complexes.

Graphical abstract: 10-π-Electron arenes à la carte: structure and bonding of the [E–(CnHn)–E]n−6 (E = Ca, Sr, Ba; n = 6–8) complexes

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Article information


Submitted
29 Jan 2016
Accepted
15 Feb 2016
First published
15 Feb 2016

Phys. Chem. Chem. Phys., 2016,18, 11909-11918
Article type
Paper

10-π-Electron arenes à la carte: structure and bonding of the [E–(CnHn)–E]n−6 (E = Ca, Sr, Ba; n = 6–8) complexes

S. Mondal, J. L. Cabellos, S. Pan, E. Osorio, J. J. Torres-Vega, W. Tiznado, A. Restrepo and G. Merino, Phys. Chem. Chem. Phys., 2016, 18, 11909
DOI: 10.1039/C6CP00671J

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