铁(0)PNP 钳形配合物的结构和电子特性。

IF 1.1 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR
Mathias Glatz, Nikolaus Gorgas, Berthold Stöger, Ernst Pittenauer, Liliana Ferreira, Luis F Veiros, Maria José Calhorda, Karl Kirchner
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引用次数: 0

摘要

在本研究中,我们用 KC8 在一氧化碳存在下制备了几种[Fe(PNP)(CO)2]类型的 Fe(0) 复合物,并对其进行了全面表征,这些复合物处理了 Fe(II) 复合物[Fe(PNP)(Cl)2]。复合物[Fe(PNPNMe-iPr)(CO)2]和[Fe(PNPNEt-iPr)(CO)2]采用三叉双锥几何结构,而体积更大、电子更丰富的[Fe(PNPNH-tBu)(CO)2]则更接近于方形金字塔几何结构。摩斯鲍尔光谱显示出非常接近于 0 的异构体偏移,与报告的 Fe(I) 系统的异构体偏移相似。实验和 DFT 计算得出的四极分裂值介于 2.2 和 2.7 mm s-1 之间,而 Fe(I) 复合物的四极分裂值要小得多(∼0.6 mm s-1)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Structural and Electronic Properties of Iron(0) PNP Pincer Complexes.

Structural and Electronic Properties of Iron(0) PNP Pincer Complexes.

Structural and Electronic Properties of Iron(0) PNP Pincer Complexes.

Structural and Electronic Properties of Iron(0) PNP Pincer Complexes.

In the present work we have prepared and fully characterized several Fe(0) complexes of the type [Fe(PNP)(CO)2] treating Fe(II) complexes [Fe(PNP)(Cl)2] with KC8 in the presence of carbon monoxide. While complexes [Fe(PNPNMe-iPr)(CO)2], [Fe(PNPNEt-iPr)(CO)2] adopt a trigonal bipyramidal geometry, the bulkier and more electron rich [Fe(PNPNH-tBu)(CO)2] is closer to a square pyramidal geometry. Mössbauer spectra showed isomer shifts very close to 0 and similar to those reported for Fe(I) systems. Quadrupole splitting values range between 2.2 and 2.7 mm s-1 both in experiments and DFT calculations, while those of Fe(I) complexes are much smaller (∼0.6 mm s-1).

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来源期刊
Zeitschrift fur Anorganische und Allgemeine Chemie
Zeitschrift fur Anorganische und Allgemeine Chemie 化学-无机化学与核化学
CiteScore
2.60
自引率
14.30%
发文量
308
审稿时长
1 months
期刊介绍: ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co-ordination chemistry. The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super-hard materials, electrical superconductors, or intermetallic compounds. Up-to-date physical methods for the characterization of new chemical compounds and materials are also described.
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