Double donation in trigonal planar iron-carbodiphosphorane complexes-a concise study on their spectroscopic and electronic properties

Nis Julian H. Kneusels; Jörn E. Münzer; Kimon Flosdorf; Dandan Jiang; Bernhard Neumüller; Lili Zhao; Andreas Eichhöfer; Gernot Frenking; Istemi Kuzu

doi:10.1039/c9dt04725e

Double donation in trigonal planar iron-carbodiphosphorane complexes-a concise study on their spectroscopic and electronic properties

Nis Julian H. Kneusels, Jörn E. Münzer, Kimon Flosdorf, Dandan Jiang, Bernhard Neumüller, Lili Zhao, Andreas Eichhöfer, Gernot Frenking, Istemi Kuzu

化学与分子工程学院

科研成果: 期刊稿件 › 文章 › 同行评审

21 引用（Scopus）

摘要

We present the syntheses of trigonal planar coordinated Fe(ii) carbodiphosphorane (CDP^R) complexes, starting from iron(ii)-bis(trimethylsilylamide) [Fe{N(SiMe₃)₂}₂] and hexaphenyl-(CDP^Ph) and sym-dimethyltetraphenyl-carbodiphosphoranes (CDP^Me), respectively. Both complexes [CDP^Ph-Fe{N(SiMe₃)₂}₂] (1) and [CDP^Me-Fe{N(SiMe₃)₂}₂] (2) were examined in solution and in the solid state. 1 shows a dissociation equilibrium in solution which we monitored by variable temperature ¹H-NMR spectroscopy. Magnetic measurements of 1 and 2 yielded a high spin configuration (S = 2) for both complexes. Quantum chemical calculations were performed to analyze the bonding situation in compound 1.

源语言	英语
页（从-至）	2537-2546
页数	10
期刊	Dalton Transactions
卷	49
期	8
DOI	https://doi.org/10.1039/c9dt04725e
出版状态	已出版 - 28 2月 2020

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title = "Double donation in trigonal planar iron-carbodiphosphorane complexes-a concise study on their spectroscopic and electronic properties",

abstract = "We present the syntheses of trigonal planar coordinated Fe(ii) carbodiphosphorane (CDPR) complexes, starting from iron(ii)-bis(trimethylsilylamide) [Fe{N(SiMe3)2}2] and hexaphenyl-(CDPPh) and sym-dimethyltetraphenyl-carbodiphosphoranes (CDPMe), respectively. Both complexes [CDPPh-Fe{N(SiMe3)2}2] (1) and [CDPMe-Fe{N(SiMe3)2}2] (2) were examined in solution and in the solid state. 1 shows a dissociation equilibrium in solution which we monitored by variable temperature 1H-NMR spectroscopy. Magnetic measurements of 1 and 2 yielded a high spin configuration (S = 2) for both complexes. Quantum chemical calculations were performed to analyze the bonding situation in compound 1.",

author = "Kneusels, {Nis Julian H.} and M{\"u}nzer, {J{\"o}rn E.} and Kimon Flosdorf and Dandan Jiang and Bernhard Neum{\"u}ller and Lili Zhao and Andreas Eichh{\"o}fer and Gernot Frenking and Istemi Kuzu",

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AU - Kneusels, Nis Julian H.

AU - Münzer, Jörn E.

AU - Flosdorf, Kimon

AU - Jiang, Dandan

AU - Neumüller, Bernhard

AU - Zhao, Lili

AU - Eichhöfer, Andreas

AU - Frenking, Gernot

AU - Kuzu, Istemi

PY - 2020/2/28

Y1 - 2020/2/28

N2 - We present the syntheses of trigonal planar coordinated Fe(ii) carbodiphosphorane (CDPR) complexes, starting from iron(ii)-bis(trimethylsilylamide) [Fe{N(SiMe3)2}2] and hexaphenyl-(CDPPh) and sym-dimethyltetraphenyl-carbodiphosphoranes (CDPMe), respectively. Both complexes [CDPPh-Fe{N(SiMe3)2}2] (1) and [CDPMe-Fe{N(SiMe3)2}2] (2) were examined in solution and in the solid state. 1 shows a dissociation equilibrium in solution which we monitored by variable temperature 1H-NMR spectroscopy. Magnetic measurements of 1 and 2 yielded a high spin configuration (S = 2) for both complexes. Quantum chemical calculations were performed to analyze the bonding situation in compound 1.

AB - We present the syntheses of trigonal planar coordinated Fe(ii) carbodiphosphorane (CDPR) complexes, starting from iron(ii)-bis(trimethylsilylamide) [Fe{N(SiMe3)2}2] and hexaphenyl-(CDPPh) and sym-dimethyltetraphenyl-carbodiphosphoranes (CDPMe), respectively. Both complexes [CDPPh-Fe{N(SiMe3)2}2] (1) and [CDPMe-Fe{N(SiMe3)2}2] (2) were examined in solution and in the solid state. 1 shows a dissociation equilibrium in solution which we monitored by variable temperature 1H-NMR spectroscopy. Magnetic measurements of 1 and 2 yielded a high spin configuration (S = 2) for both complexes. Quantum chemical calculations were performed to analyze the bonding situation in compound 1.

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SN - 1477-9226

VL - 49

SP - 2537

EP - 2546

JO - Dalton Transactions

JF - Dalton Transactions

IS - 8

ER -

Double donation in trigonal planar iron-carbodiphosphorane complexes-a concise study on their spectroscopic and electronic properties

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