Stereodynamics of 1-(methylsulfonyl)-3,5-bis(trifluoromethylsulfonyl)-1,3,5-triazinane: Experimental and theoretical analysis

被引：18
|
作者：
Shainyan, Bagrat A.
Ushakov, Igor A.
Koch, Andreas
Kleinpeter, Erich
机构：
[1] Russian Acad Sci, Siberian Div, Irkutsk Inst Chem, Irkutsk 664033, Russia
[2] Univ Potsdam, Inst Chem, D-14415 Potsdam, Germany
来源：
JOURNAL OF ORGANIC CHEMISTRY | 2006年 / 71卷 / 20期
关键词：
D O I：
10.1021/jo061112x
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Dynamic NMR of 1-(methylsulfonyl)-3,5-bis(trifluoromethylsulfonyl)-1,3,5-triazinane reveals the existence of three conformers and two dynamic processes: ring inversion and rotation about the N-S bond, both processes having Delta G(double dagger) = 13.5 kcal/mol. An unprecedented large reverse Perlin effect (J(CHax) > J(CHeq)) was found experimentally and calculated theoretically.
引用
收藏
页码：7638 / 7642
页数：5
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