Structural Proof for the First Dianion of a Polychloride: Investigation of [Cl8 ](2.)

Abstract

The polychloride salt [CCl(NMe2 )2 ](+) 2 [Cl8 ](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.

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