Isolation of neutral mononuclear copper complexes stabilized by two cyclic (Alkyl)(amino)carbenes

David S. Weinberger; Nurul Amin Sk; Kartik Chandra Mondal; Mohand Melaimi; Guy Bertrand; A. Claudia Stückl; Herbert W. Roesky; Birger Dittrich; Serhiy Demeshko; Brigitte Schwederski; Wolfgang Kaim; Paul Jerabek; Gernot Frenking

doi:10.1021/ja502521b

Isolation of neutral mononuclear copper complexes stabilized by two cyclic (Alkyl)(amino)carbenes

David S. Weinberger, Nurul Amin Sk, Kartik Chandra Mondal, Mohand Melaimi, Guy Bertrand, A. Claudia Stückl, Herbert W. Roesky, Birger Dittrich, Serhiy Demeshko, Brigitte Schwederski, Wolfgang Kaim, Paul Jerabek, Gernot Frenking

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Abstract

Two (cAAC)₂Cu complexes, featuring a two-coordinate copper atom in the formal oxidation state zero, were prepared by reducing (Et ₂-cAAC)₂Cu⁺I^- with metallic sodium in THF, and by a one-pot synthesis using Me₂-cAAC, Cu(II)Cl ₂, and KC₈ in toluene in a molar ratio of 2:1:2, respectively. Both complexes are highly air and moisture sensitive but can be stored in the solid state for a month at room temperature. DFT calculations showed that in these complexes the copper center has a d¹⁰ electronic configuration and the unpaired electron is delocalized over two carbene carbon atoms. This was further confirmed by the EPR spectra, which exhibit multiple hyperfine lines due to the coupling of the unpaired electron with ^63,65Cu isotopes, ¹⁴N, and ¹H nuclei.

Original language	English
Pages (from-to)	6235-6238
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	136
Issue number	17
DOIs	https://doi.org/10.1021/ja502521b
State	Published - 30 Apr 2014
Externally published	Yes

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Weinberger, D. S., Amin Sk, N., Mondal, K. C., Melaimi, M., Bertrand, G., Stückl, A. C., Roesky, H. W., Dittrich, B., Demeshko, S., Schwederski, B., Kaim, W., Jerabek, P., & Frenking, G. (2014). Isolation of neutral mononuclear copper complexes stabilized by two cyclic (Alkyl)(amino)carbenes. Journal of the American Chemical Society, 136(17), 6235-6238. https://doi.org/10.1021/ja502521b

@article{f6d19ab0219743e3959390cbc65d5522,

title = "Isolation of neutral mononuclear copper complexes stabilized by two cyclic (Alkyl)(amino)carbenes",

abstract = "Two (cAAC)2Cu complexes, featuring a two-coordinate copper atom in the formal oxidation state zero, were prepared by reducing (Et 2-cAAC)2Cu+I- with metallic sodium in THF, and by a one-pot synthesis using Me2-cAAC, Cu(II)Cl 2, and KC8 in toluene in a molar ratio of 2:1:2, respectively. Both complexes are highly air and moisture sensitive but can be stored in the solid state for a month at room temperature. DFT calculations showed that in these complexes the copper center has a d10 electronic configuration and the unpaired electron is delocalized over two carbene carbon atoms. This was further confirmed by the EPR spectra, which exhibit multiple hyperfine lines due to the coupling of the unpaired electron with 63,65Cu isotopes, 14N, and 1H nuclei.",

author = "Weinberger, {David S.} and {Amin Sk}, Nurul and Mondal, {Kartik Chandra} and Mohand Melaimi and Guy Bertrand and St{\"u}ckl, {A. Claudia} and Roesky, {Herbert W.} and Birger Dittrich and Serhiy Demeshko and Brigitte Schwederski and Wolfgang Kaim and Paul Jerabek and Gernot Frenking",

year = "2014",

month = apr,

day = "30",

doi = "10.1021/ja502521b",

language = "英语",

volume = "136",

pages = "6235--6238",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

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}

Weinberger, DS, Amin Sk, N, Mondal, KC, Melaimi, M, Bertrand, G, Stückl, AC, Roesky, HW, Dittrich, B, Demeshko, S, Schwederski, B, Kaim, W, Jerabek, P & Frenking, G 2014, 'Isolation of neutral mononuclear copper complexes stabilized by two cyclic (Alkyl)(amino)carbenes', Journal of the American Chemical Society, vol. 136, no. 17, pp. 6235-6238. https://doi.org/10.1021/ja502521b

TY - JOUR

T1 - Isolation of neutral mononuclear copper complexes stabilized by two cyclic (Alkyl)(amino)carbenes

AU - Weinberger, David S.

AU - Amin Sk, Nurul

AU - Mondal, Kartik Chandra

AU - Melaimi, Mohand

AU - Bertrand, Guy

AU - Stückl, A. Claudia

AU - Roesky, Herbert W.

AU - Dittrich, Birger

AU - Demeshko, Serhiy

AU - Schwederski, Brigitte

AU - Kaim, Wolfgang

AU - Jerabek, Paul

AU - Frenking, Gernot

PY - 2014/4/30

Y1 - 2014/4/30

N2 - Two (cAAC)2Cu complexes, featuring a two-coordinate copper atom in the formal oxidation state zero, were prepared by reducing (Et 2-cAAC)2Cu+I- with metallic sodium in THF, and by a one-pot synthesis using Me2-cAAC, Cu(II)Cl 2, and KC8 in toluene in a molar ratio of 2:1:2, respectively. Both complexes are highly air and moisture sensitive but can be stored in the solid state for a month at room temperature. DFT calculations showed that in these complexes the copper center has a d10 electronic configuration and the unpaired electron is delocalized over two carbene carbon atoms. This was further confirmed by the EPR spectra, which exhibit multiple hyperfine lines due to the coupling of the unpaired electron with 63,65Cu isotopes, 14N, and 1H nuclei.

AB - Two (cAAC)2Cu complexes, featuring a two-coordinate copper atom in the formal oxidation state zero, were prepared by reducing (Et 2-cAAC)2Cu+I- with metallic sodium in THF, and by a one-pot synthesis using Me2-cAAC, Cu(II)Cl 2, and KC8 in toluene in a molar ratio of 2:1:2, respectively. Both complexes are highly air and moisture sensitive but can be stored in the solid state for a month at room temperature. DFT calculations showed that in these complexes the copper center has a d10 electronic configuration and the unpaired electron is delocalized over two carbene carbon atoms. This was further confirmed by the EPR spectra, which exhibit multiple hyperfine lines due to the coupling of the unpaired electron with 63,65Cu isotopes, 14N, and 1H nuclei.

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U2 - 10.1021/ja502521b

DO - 10.1021/ja502521b

M3 - 文章

C2 - 24731250

AN - SCOPUS:84899765381

SN - 0002-7863

VL - 136

SP - 6235

EP - 6238

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 17

ER -

Isolation of neutral mononuclear copper complexes stabilized by two cyclic (Alkyl)(amino)carbenes

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