Phosphindolizine: a compound with planar phosphorus

被引：21

作者：

Nyulaszi, L

Bergstrasser, U

Regitz, M

Schleyer, PV

机构：

[1] Univ Kaiserslautern, Fachbereich Chem, D-67663 Kaiserslautern, Germany

[2] Universitat Erlangen Nurnberg, Inst Organ Chem, Comp Chem Ctr, D-91054 Erlangen, Germany

[3] Tech Univ Budapest, Dept Inorgan Chem, H-1521 Budapest, Hungary

来源：

NEW JOURNAL OF CHEMISTRY | 1998年 / 22卷 / 07期

关键词：

D O I：

10.1039/a801739e

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Phosphindolizine, a fused ring with a bridgehead tricoordinated phosphorus, is nearly planar, with an inversion barrier of 3.5 kcal mol(-1) at the B3LYP/6-311 + G** level of theory. Diphosphaphosphindolizine is planar. Both the six- and the five-membered rings exhibit significant aromatic character, even in phosphindolizine, which is not entirely planar. The lone pair of the tricoordinate phosphorus is delocalized. The estimated aromatic stabilization in the two rings is 40 kcal mol(-1).

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页码：651 / 654

页数：4

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