Molecular structure of complexes with bifurcated hydrogen bond: III. Solvate H-complexes formed by trifluoromethanesulfonamide and its cyclic dimer

被引：7
|
作者：
Chipanina, NN [1 ]
Aksamentova, TN [1 ]
Sherstyannikova, LV [1 ]
Sterkhova, IV [1 ]
Shainyan, BA [1 ]
Turchaninov, VK [1 ]
机构：
[1] Russian Acad Sci, Siberian Div, Favorskii Irkutsk Inst Chem, Irkutsk 664033, Russia
来源：
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY | 2005年 / 41卷 / 10期
关键词：
D O I：
10.1007/s11178-005-0360-2
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
According to the data of IR spectroscopy, dielcometry, and B3LYP/6-31G* quantum-chemical calculations, trifluoromethanesulfonamide homoassociates in weakly basic protophilic media are converted into 2:1 solvate H-complexes. Cyclic trifluoromethanesulfonamide dimer decomposes in heteroassociate with dioxane with a composition of 1 :3. Cyclic trifluoromethanesulfonamide dimer with dioxane forms a 1: 4 H-complex with bifurcated (three-center) hydrogen bond involving the bridging hydrogen atom of the NH group ((NHO)-O-...).
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页码：1415 / 1420
页数：6
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