Insights into the Structure of Halide-Rich Hydrochloric and Hydrobromic Acid: A Structural and Quantum-Chemical Investigation of the [H6X4O2]2- (X = Cl, Br) Anions

被引：1

作者：

Bertocco, Philipp ^{[1
]}

Bolli, Christoph ^{[1
]}

Correia Bicho, Bruno A. ^{[1
]}

Jenne, Carsten ^{[1
]}

Nierstenhoefer, Marc C. ^{[1
]}

机构：

[1] Berg Univ Wuppertal, Fak Math & Nat Wissensch Anorgan Chem, Gaussstr 20, D-42119 Wuppertal, Germany

来源：

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2020年 / 50卷 / 02期

关键词：

Dianions; Hydrochloric acid; Hydrogen bonding; Hydrogen dibromide; Crystal structure; Weakly coordinating cations; WEAKLY COORDINATING CATIONS; CRYSTAL-STRUCTURE; HYDROGEN-BOND; INFRARED-SPECTROSCOPY; IONS; SOLVATION; BRHBR; SALTS;

D O I：

10.1007/s10870-019-00773-w

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The previously unknown dianions [H6Cl4O2](2-) and [H6Br4O2](2-) were prepared as their bis(triphenyl-lambda(5)-phosphanylidene)ammonium ([Ph3PNPPh3](+)equivalent to[PNP](+)) salts from [PNP](+) halides and aqueous hydrochloric or hydrobromic acid, respectively. The crystal structures of the two salts [PNP](2)[H6Cl4O2] and [PNP](2)[H6Br4O2] are reported. The unprecedented dianions [H6Cl4O2](2-) and [H6Br4O2](2-), which represent a section of the structure of halide-rich hydrochloric or hydrobromic acid, are discussed. Quantum-chemical calculations support the findings. The crystal structure of [PNP][HBr2], a rare example for a crystallographically determined hydrogen dibromide structure, is presented as well. [GRAPHICS] .

引用

页码：69 / 76

页数：8

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