TWISTED DOUBLE-BOND IN METHYLENEPHOSPHONIUM IONS - A THEORETICAL INVESTIGATION

被引：28

作者：

EHRIG, M ^{[1
]}

HORN, H ^{[1
]}

KOLMEL, C ^{[1
]}

AHLRICHS, R ^{[1
]}

机构：

[1] UNIV KARLSRUHE,INST PHYS CHEM & ELEKTROCHEM,LEHRSTUHL THEORET CHEM,W-7500 KARLSRUHE,GERMANY

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1991年 / 113卷 / 10期

关键词：

D O I：

10.1021/ja00010a011

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Results of rigorous SCF calculations, including structure optimizations, are reported for (R2N)2P+=C(SiR'3)2: R = H, Me, i-Pr; R' = H, Me (and for R2P+=CR'2 for comparison). Twisting of the P+=C double bond caused by steric hindrance of bulky groups R and R' is facilitated by the electronic structure of the parent compound (H2N)2P+=C(SiH3)2 which differs markedly from the genuine double-bond structure found in H2P+=CH2.

引用

页码：3701 / 3704

页数：4

共 13 条

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