A high field and frequency electron paramagnetic resonance study of the S = 2 chromium(II) complex trans-[Cr(NCCH3)4(FBF3)2] and investigation of its reaction with dioxygen: Crystal structure of [(CH3CN)5CrOCr(NCCH3)5](BF4)4.2CH3CN

Anne-Laure Barra; Anders Rørbæk Døssing; Thorbjørn Morsing; Johan Elias Vibenholt

A high field and frequency electron paramagnetic resonance study of the S = 2 chromium(II) complex trans-[Cr(NCCH3)4(FBF3)2] and investigation of its reaction with dioxygen: Crystal structure of [(CH3CN)5CrOCr(NCCH3)5](BF4)4.2CH3CN

Anne-Laure Barra, Anders Rørbæk Døssing, Thorbjørn Morsing, Johan Elias Vibenholt

Department of Chemistry

17 Citations (Scopus)

Abstract

From high field and frequency electron paramagnetic resonance (EPR) powder spectra of the high spin chromium(II) complex trans-[Cr(NCCH₃) ₄(FBF₃)₂] (1) recorded at T = 5-40 K the EPR parameters were found to be D = -2.19 cm^-1, E ≈ 0 cm^-1, and g₁ = g_⊥ = 1.9833. The reaction between a MeCN solution of 1 and dioxygen gave dark green crystals of [(CH₃CN) ₅CrOCr(NCCH₃)₅](BF₄) ₄·2CH₃CN (2). From the X-ray crystal structure of 2 at T = 122 K a Cr-O-Cr angle of 180° and a Cr-O distance of 1.7556(5) was found. This is the shortest among the known Cr-O distances in dinuclear complexes containing a CrOCr⁴⁺ core, and this can partly explain the strong antiferromagnetic coupling between the two chromium(III) centers in 2.

Original language	English
Journal	Inorganica Chimica Acta
Volume	373
Pages (from-to)	266-269
ISSN	0020-1693
Publication status	Published - 15 Jul 2011

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A high field and frequency electron paramagnetic resonance study of the S = 2 chromium(II) complex trans-[Cr(NCCH3)4(FBF3)2] and investigation of its reaction with dioxygen: Crystal structure of [(CH3CN)5CrOCr(NCCH3)5](BF4)4.2CH3CN. / Barra, Anne-Laure; Døssing, Anders Rørbæk; Morsing, Thorbjørn et al.

In: Inorganica Chimica Acta, Vol. 373, 15.07.2011, p. 266-269.

Research output: Contribution to journal › Journal article › Research › peer-review

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title = "A high field and frequency electron paramagnetic resonance study of the S = 2 chromium(II) complex trans-[Cr(NCCH3)4(FBF3)2] and investigation of its reaction with dioxygen: Crystal structure of [(CH3CN)5CrOCr(NCCH3)5](BF4)4.2CH3CN",

abstract = "From high field and frequency electron paramagnetic resonance (EPR) powder spectra of the high spin chromium(II) complex trans-[Cr(NCCH3) 4(FBF3)2] (1) recorded at T = 5-40 K the EPR parameters were found to be D = -2.19 cm-1, E ≈ 0 cm-1, and g1 = g⊥ = 1.9833. The reaction between a MeCN solution of 1 and dioxygen gave dark green crystals of [(CH3CN) 5CrOCr(NCCH3)5](BF4) 4·2CH3CN (2). From the X-ray crystal structure of 2 at T = 122 K a Cr-O-Cr angle of 180° and a Cr-O distance of 1.7556(5) was found. This is the shortest among the known Cr-O distances in dinuclear complexes containing a CrOCr4+ core, and this can partly explain the strong antiferromagnetic coupling between the two chromium(III) centers in 2.",

author = "Anne-Laure Barra and D{\o}ssing, {Anders R{\o}rb{\ae}k} and Thorbj{\o}rn Morsing and Vibenholt, {Johan Elias}",

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T1 - A high field and frequency electron paramagnetic resonance study of the S = 2 chromium(II) complex trans-[Cr(NCCH3)4(FBF3)2] and investigation of its reaction with dioxygen: Crystal structure of [(CH3CN)5CrOCr(NCCH3)5](BF4)4.2CH3CN

AU - Barra, Anne-Laure

AU - Døssing, Anders Rørbæk

AU - Morsing, Thorbjørn

AU - Vibenholt, Johan Elias

PY - 2011/7/15

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N2 - From high field and frequency electron paramagnetic resonance (EPR) powder spectra of the high spin chromium(II) complex trans-[Cr(NCCH3) 4(FBF3)2] (1) recorded at T = 5-40 K the EPR parameters were found to be D = -2.19 cm-1, E ≈ 0 cm-1, and g1 = g⊥ = 1.9833. The reaction between a MeCN solution of 1 and dioxygen gave dark green crystals of [(CH3CN) 5CrOCr(NCCH3)5](BF4) 4·2CH3CN (2). From the X-ray crystal structure of 2 at T = 122 K a Cr-O-Cr angle of 180° and a Cr-O distance of 1.7556(5) was found. This is the shortest among the known Cr-O distances in dinuclear complexes containing a CrOCr4+ core, and this can partly explain the strong antiferromagnetic coupling between the two chromium(III) centers in 2.

AB - From high field and frequency electron paramagnetic resonance (EPR) powder spectra of the high spin chromium(II) complex trans-[Cr(NCCH3) 4(FBF3)2] (1) recorded at T = 5-40 K the EPR parameters were found to be D = -2.19 cm-1, E ≈ 0 cm-1, and g1 = g⊥ = 1.9833. The reaction between a MeCN solution of 1 and dioxygen gave dark green crystals of [(CH3CN) 5CrOCr(NCCH3)5](BF4) 4·2CH3CN (2). From the X-ray crystal structure of 2 at T = 122 K a Cr-O-Cr angle of 180° and a Cr-O distance of 1.7556(5) was found. This is the shortest among the known Cr-O distances in dinuclear complexes containing a CrOCr4+ core, and this can partly explain the strong antiferromagnetic coupling between the two chromium(III) centers in 2.

M3 - Journal article

SN - 0020-1693

VL - 373

SP - 266

EP - 269

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

ER -