Crystal structure of [PPN+][Cr(CO)4NO-]:: Calculations and comparisons of Cr(CO)4NO- with Mn(CO)5-

被引：4

作者：

Sorensen, TS ^{[1
]}

Sun, F ^{[1
]}

McDonald, R ^{[1
]}

机构：

[1] Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada

来源：

ORGANOMETALLICS | 2001年 / 20卷 / 16期

关键词：

D O I：

10.1021/om010201r

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The crystal structure of the deep red crystalline salt PPN+Cr(CO)(4)NO- has been determined and can be described as a distorted trigonal bipyramid. As expected, the NO group is equatorial, and the major distortion in Cr(CO)(4)NO- involves the axial CO groups, with an angle C-ax-C-r-C-ax of 159.08(17)degrees. These CO groups form this reduced angle by bending away from the NO group. This distorted structure is not primarily due to lattice effects, since high-level MO calculations shoal a similar geometry for the Cr(CO)4NO- part by itself These MO calculations were also carried out on Mn(CO)(5)(-), and as expected this anion is quite fluxional. In contrast, we were unable to find any other low-energy geometry for Cr(CO)(4)NO-.

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页码：3613 / 3616

页数：4

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