STRUCTURAL EVIDENCE FOR P(PI)-P(PI) CONJUGATION IN AMINOSUBSTITUTED PHOSPHAALKYNES

被引：17

作者：

CHERNEGA, AN ^{[1
]}

KOIDAN, GN ^{[1
]}

MARCHENKO, AP ^{[1
]}

KORKIN, AA ^{[1
]}

机构：

[1] INST ORGAN CHEM, W-8520 ERLANGEN, GERMANY

来源：

HETEROATOM CHEMISTRY | 1993年 / 4卷 / 04期

关键词：

D O I：

10.1002/hc.520040409

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The molecular structure of 2,2,6,6-tetramethylpiperindinophosphaalkyne was determined by the X-ray structural method. The main geometrical parameters are as follows: P=C 1.559(2), N-C(sp) 1.316(2) angstrom, P=C-N 178.9(1)-degrees, with an almost planar trigonal bond configuration for the N atom and the chair conformation of the piperidine ring. Structural evidence for the nitrogen lone pair conjugation with the pi-system of the triple bond was found to be different in phosphaalkynes P=C-NR2 and nitriles N=C-NR2. Quantum-chemical ab initio calculations (HF/6-31G*) showed that this is caused by a different character of polarization of the P=C and N=C triple bonds.

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页码：365 / 368

页数：4

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