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

被引：40

作者：

Brueckner, Robin ^{[1
]}

Proehm, Patrick ^{[1
]}

Wiesner, Anja ^{[1
]}

Steinhauer, Simon ^{[1
]}

Mueller, Carsten ^{[2
]}

Riedel, Sebastian ^{[1
]}

机构：

[1] Inst Chem & Biochem Anorgan Chem, Fachbereich Biol, Chem, Pharm, Fabeckstr 34-36, D-14195 Berlin, Germany

[2] Inst Chem & Biochem Theoret Chem, Fachbereich Biol, Chem, Pharm, Takustr 3, D-14195 Berlin, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2016年 / 55卷 / 36期

关键词：

DFT calculations; halogen-halogen bonding; ionic liquids; polychlorides; solid-state structures; ULTRASOFT PSEUDOPOTENTIALS; CRYSTAL-STRUCTURES; IONIC-LIQUID; BROMINE; ANIONS; POLYHALIDES; POLYIODIDE; MONOANIONS; PROGRAM; NETWORK;

D O I：

10.1002/anie.201604348

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：10904 / 10908

页数：5

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