Structure and stability of halogen oxoacids XOnH (X = F, Cl; n=1-4):: A quantum chemistry study

被引：0

作者：

Minyaev, RM ^{[1
]}

Gribanova, TN ^{[1
]}

机构：

[1] Rostov State Univ, Inst Phys & Organ Chem, Rostov Na Donu 344090, Russia

来源：

RUSSIAN JOURNAL OF INORGANIC CHEMISTRY | 2004年 / 49卷 / 04期

关键词：

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The geometric, energetic, and electronic characteristics of halogen oxoacids XOH, OXOH, O2XOH, and O3XOH (X = F, Cl) and their lithium salts were studied by ab initio (CCD/6-311 + G**) and the density functional theory calculations. The molecules of ClOnH (n = 1-4) and FOH acids correspond to minima on the potential energy surfaces. The FOnH (n = 2-4) acids cannot exist in the isolated state; however, the FO2- and FO3- anions in lithium salts are stable structural units.

引用

页码：579 / 586

页数：8

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