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

Sukanta Mondal, Jose Luis Cabellos, Sudip Pan, Edison Osorio, Juan Jose Torres-Vega, William Tiznado, Albeiro Restrepo, Gabriel Merino

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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.

Original languageEnglish
Pages (from-to)11909-11918
Number of pages10
JournalPhysical Chemistry Chemical Physics
Volume18
Issue number17
DOIs
StatePublished - 1 Jan 2016

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