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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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Publication details

The article was received on 29 Jan 2016, accepted on 15 Feb 2016 and first published on 15 Feb 2016


Article type: Paper
DOI: 10.1039/C6CP00671J
Citation: Phys. Chem. Chem. Phys., 2016,18, 11909-11918
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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

    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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