Raman Spectroscopic Investigation of Tetraethylammonium Polybromides

被引：77

作者：

Chen, Xiaoyun ^{[1
]}

Rickard, Mark A. ^{[1
]}

Hull, John W., Jr. ^{[1
]}

Zheng, Chao ^{[1
]}

Leugers, Anne ^{[1
]}

Simoncic, Petra ^{[1
]}

机构：

[1] Dow Chem Co USA, Midland, MI 48667 USA

来源：

INORGANIC CHEMISTRY | 2010年 / 49卷 / 19期

关键词：

MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; BROMINE; QUATERNARY;

D O I：

10.1021/ic100869r

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A large number of polyhalides, especially polyiodides, have been discovered and studied, but definitive studies on polybromides remain scarce. Br-3(-) is the only monovalent polybromide with a known structure. Higher-order monovalent polybromide anions have been proposed but not structurally confirmed as discrete species. In this study tetra-alkylammonium polybromides with molecular formulas R4NBr2x+1 (R = ethyl; x = 1-4) were prepared by reacting tetraalkylammonium monobromide or tribromide salts with gas-phase bromine. Distinct and characteristic Raman spectra were obtained from the solid polybromides in the spectral range between 100 and 400 cm(-1). Experimental Raman spectra were compared to ab initio calculations to propose the structure of these polybromide anions. A general agreement between the experimental and theoretical results was observed. This study demonstrates that Raman spectroscopy is a sensitive technique for probing the structure of discrete monovalent polybromides.

引用

页码：8684 / 8689

页数：6

共 24 条

[1] Self-assembly of supramolecular architectures based on polybromide anions:: crystal structure of [(H4tppz4+)(Br-)2(Br2-4)] [tppz = tetra(2-pyridyl)pyrazine] [J].