Synthesis of a copper-supported triplet nitrene complex pertinent to copper-catalyzed amination

Terminal copper-nitrenoid complexes have inspired interest in their fundamental bonding structures as well as their putative intermediacy in catalytic nitrene-transfer reactions. Here, we report that aryl azides react with a copper(I) dinitrogen complex bearing a sterically encumbered dipyrrin ligan...

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Published in:Science (American Association for the Advancement of Science) Vol. 365; no. 6458; p. 1138
Main Authors: Carsch, Kurtis M, DiMucci, Ida M, Iovan, Diana A, Li, Alex, Zheng, Shao-Liang, Titus, Charles J, Lee, Sang Jun, Irwin, Kent D, Nordlund, Dennis, Lancaster, Kyle M, Betley, Theodore A
Format: Journal Article
Language:English
Published: United States 13.09.2019
ISSN:1095-9203, 1095-9203
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Abstract Terminal copper-nitrenoid complexes have inspired interest in their fundamental bonding structures as well as their putative intermediacy in catalytic nitrene-transfer reactions. Here, we report that aryl azides react with a copper(I) dinitrogen complex bearing a sterically encumbered dipyrrin ligand to produce terminal copper nitrene complexes with near-linear, short copper-nitrenoid bonds [1.745(2) to 1.759(2) angstroms]. X-ray absorption spectroscopy and quantum chemistry calculations reveal a predominantly triplet nitrene adduct bound to copper(I), as opposed to copper(II) or copper(III) assignments, indicating the absence of a copper-nitrogen multiple-bond character. Employing electron-deficient aryl azides renders the copper nitrene species competent for alkane amination and alkene aziridination, lending further credence to the intermediacy of this species in proposed nitrene-transfer mechanisms.
AbstractList Terminal copper-nitrenoid complexes have inspired interest in their fundamental bonding structures as well as their putative intermediacy in catalytic nitrene-transfer reactions. Here, we report that aryl azides react with a copper(I) dinitrogen complex bearing a sterically encumbered dipyrrin ligand to produce terminal copper nitrene complexes with near-linear, short copper-nitrenoid bonds [1.745(2) to 1.759(2) angstroms]. X-ray absorption spectroscopy and quantum chemistry calculations reveal a predominantly triplet nitrene adduct bound to copper(I), as opposed to copper(II) or copper(III) assignments, indicating the absence of a copper-nitrogen multiple-bond character. Employing electron-deficient aryl azides renders the copper nitrene species competent for alkane amination and alkene aziridination, lending further credence to the intermediacy of this species in proposed nitrene-transfer mechanisms.Terminal copper-nitrenoid complexes have inspired interest in their fundamental bonding structures as well as their putative intermediacy in catalytic nitrene-transfer reactions. Here, we report that aryl azides react with a copper(I) dinitrogen complex bearing a sterically encumbered dipyrrin ligand to produce terminal copper nitrene complexes with near-linear, short copper-nitrenoid bonds [1.745(2) to 1.759(2) angstroms]. X-ray absorption spectroscopy and quantum chemistry calculations reveal a predominantly triplet nitrene adduct bound to copper(I), as opposed to copper(II) or copper(III) assignments, indicating the absence of a copper-nitrogen multiple-bond character. Employing electron-deficient aryl azides renders the copper nitrene species competent for alkane amination and alkene aziridination, lending further credence to the intermediacy of this species in proposed nitrene-transfer mechanisms.
Terminal copper-nitrenoid complexes have inspired interest in their fundamental bonding structures as well as their putative intermediacy in catalytic nitrene-transfer reactions. Here, we report that aryl azides react with a copper(I) dinitrogen complex bearing a sterically encumbered dipyrrin ligand to produce terminal copper nitrene complexes with near-linear, short copper-nitrenoid bonds [1.745(2) to 1.759(2) angstroms]. X-ray absorption spectroscopy and quantum chemistry calculations reveal a predominantly triplet nitrene adduct bound to copper(I), as opposed to copper(II) or copper(III) assignments, indicating the absence of a copper-nitrogen multiple-bond character. Employing electron-deficient aryl azides renders the copper nitrene species competent for alkane amination and alkene aziridination, lending further credence to the intermediacy of this species in proposed nitrene-transfer mechanisms.
Author Iovan, Diana A
Li, Alex
Nordlund, Dennis
Irwin, Kent D
Lancaster, Kyle M
DiMucci, Ida M
Lee, Sang Jun
Carsch, Kurtis M
Zheng, Shao-Liang
Titus, Charles J
Betley, Theodore A
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  organization: Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, USA
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  orcidid: 0000-0003-3440-7856
  surname: DiMucci
  fullname: DiMucci, Ida M
  organization: Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, USA
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  givenname: Diana A
  orcidid: 0000-0001-9889-7183
  surname: Iovan
  fullname: Iovan, Diana A
  organization: Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, USA
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  givenname: Alex
  orcidid: 0000-0001-9912-1643
  surname: Li
  fullname: Li, Alex
  organization: Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, USA
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  givenname: Shao-Liang
  orcidid: 0000-0002-6432-9943
  surname: Zheng
  fullname: Zheng, Shao-Liang
  organization: Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, USA
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  givenname: Charles J
  orcidid: 0000-0001-6312-8552
  surname: Titus
  fullname: Titus, Charles J
  organization: Department of Physics, Stanford University, Stanford, CA, USA
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  givenname: Sang Jun
  orcidid: 0000-0002-8199-3993
  surname: Lee
  fullname: Lee, Sang Jun
  organization: Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, CA, USA
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  givenname: Kent D
  orcidid: 0000-0002-2998-9743
  surname: Irwin
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  organization: SLAC National Accelerator Laboratory, Menlo Park, CA, USA
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  givenname: Dennis
  orcidid: 0000-0001-9524-6908
  surname: Nordlund
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  organization: Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, CA, USA
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  orcidid: 0000-0001-7296-128X
  surname: Lancaster
  fullname: Lancaster, Kyle M
  email: betley@chemistry.harvard.edu, kml236@cornell.edu
  organization: Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, USA. betley@chemistry.harvard.edu kml236@cornell.edu
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  email: betley@chemistry.harvard.edu, kml236@cornell.edu
  organization: Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, USA. betley@chemistry.harvard.edu kml236@cornell.edu
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Snippet Terminal copper-nitrenoid complexes have inspired interest in their fundamental bonding structures as well as their putative intermediacy in catalytic...
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Title Synthesis of a copper-supported triplet nitrene complex pertinent to copper-catalyzed amination
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