ECLIPSED CONFORMATION FOR BOTH AXIAL AND EQUATORIAL N-CH2 BONDS IN N,N',N''-TRIS(NEOPENTYL)-1,3,5-TRIAZANE

被引：25

作者：

ANDERSON, JE ^{[1
]}

CASARINI, D ^{[1
]}

IJEH, AI ^{[1
]}

LUNAZZI, L ^{[1
]}

TOCHER, DA ^{[1
]}

机构：

[1] UNIV BOLOGNA,DIPARTIMENTO CHIM ORGAN A MANGINI,I-40136 BOLOGNA,ITALY

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1995年 / 117卷 / 11期

关键词：

D O I：

10.1021/ja00116a011

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The molecular structure of N,N',N ''-tris(neopentyl)-1,3,5-triazane is shown by a crystal X-ray diffraction study to have one axial and two equatorial neopentyl groups with eclipsing of both axial and equatorial exocyclic N-CH2 bonds. In solution at about -130 degrees C both ring inversion and nitrogen inversion are slow on the NMR time scale, and 91% of molecules adopt that structure while 9% adopt the ah-equatorial arrangement. The usefulness and shortcomings of molecular mechanics calculations of the structure are shown.

引用

页码：3054 / 3056

页数：3

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