Thermodynamic/kinetic control in the isomerization of the [{tBuNP(μ-NtBu)}2]2- ion

被引：15

作者：

Bond, AD

Doyle, EL

Garcia, F

Kowenicki, RA

Moncrieff, D

McPartlin, M

Riera, L

Woods, AD

Wright, DS

机构：

[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

[2] Florida State Univ, Sch Computat Sci & Informat Technol, Tallahassee, FL 32306 USA

[3] London Metropolitan Univ, Dept Hlth & Human Sci, London N7 8DB, England

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2004年 / 10卷 / 09期

关键词：

density functional calculations; lithium; phosphazane; potassium; sodium;

D O I：

10.1002/chem.200305762

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The unique structure of [(tBuN)(2)PK](infinity) (2) (containing [(tBuN)(2)P](-) monoanions) is in stark contrast to the previously reported Li+ analogue [{[tBuNP(mu-NtBu)](2)}(2)]Li-4 (1) (containing the dimeric [{tBuNP(mu-NtBu)}(2)](2-) ion). DFT and P-31 NMR spectroscopic studies reveal that the formation of the monoanion arrangements are most thermodyamically favored for Li, Na, and K, 1 being the product of kinetic control and 2 being the product of thermodynamic control.

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收藏

页码：2271 / 2276

页数：6

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