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

School of Chemistry and Moleculai Engineering

Research output: Contribution to journal › Article › peer-review

21 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	2537-2546
Number of pages	10
Journal	Dalton Transactions
Volume	49
Issue number	8
DOIs	https://doi.org/10.1039/c9dt04725e
State	Published - 28 Feb 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",

note = "Publisher Copyright: This journal is {\textcopyright} 2020 The Royal Society of Chemistry.",

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day = "28",

doi = "10.1039/c9dt04725e",

language = "英语",

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T1 - Double donation in trigonal planar iron-carbodiphosphorane complexes-a concise study on their spectroscopic and electronic properties

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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U2 - 10.1039/c9dt04725e

DO - 10.1039/c9dt04725e

M3 - 文章

C2 - 32022052

AN - SCOPUS:85080077040

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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