4.8 Article

Structural Proof for the First Dianion of a Polychloride: Investigation of [Cl8]2-

Journal

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 55, Issue 36, Pages 10904-10908

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201604348

Keywords

DFT calculations; halogen-halogen bonding; ionic liquids; polychlorides; solid-state structures

Funding

  1. DFG-GRK [1582]

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The polychloride salt [CCl(NMe2)(2)](+)(2)[Cl-8](2-) was synthesized and crystallized in the ionic liquid [BMP]OTf. The compound was fully characterized by Raman spectroscopy as well as X-ray single-crystal structure determination, and represents the first example of a polychloride dianion to be described. Detailed gas-phase and solid-state calculations concerning the nature of the bonding situation were also performed.

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