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
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D O I：
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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.
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页码：579 / 586
页数：8
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