O/C bond cleavage of CO2 by NiI

被引：25

作者：

Fullmer, Benjamin C.

Fan, Hongjun

Pink, Maren

Caulton, Kenneth G. ^{[1
]}

机构：

[1] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA

来源：

INORGANIC CHEMISTRY | 2008年 / 47卷 / 06期

关键词：

D O I：

10.1021/ic701843u

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Reaction of (PNP)Ni, where PNP is [((Bu2PCH2SiMe2)-Bu-t)(2)N](-1), with CO2 occurs rapidly even at -60 degrees C to form exclusively the product of transposition of the amide N and one CO2 oxygen: [((Bu2PCH2)-Bu-t SiMe2)(2)O]Ni(NCO). DFT(B3LYP) evaluation of several candidate intermediates for breaking two Si/N and one C/O bond and forming two Si/O and one N/C bond reveal species at and below the energy of the separated particles, and establish, the location of the spin densities in each.

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页码：1865 / 1867

页数：3

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