Formation of a diiron–(l-g1:g1-CN) complex from acetonitrile solution

Tim P. Schlachta; Michael J. Sauer; Leon F. Richter; Fritz E. Kühn

doi:10.1107/S2053229624007058

Formation of a diiron–(l-g¹:g¹-CN) complex from acetonitrile solution

Tim P. Schlachta
, Michael J. Sauer
, Leon F. Richter
, Fritz E. Kühn

Associate Professorship of Molecular Catalysis

Technical University of Munich

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

Abstract

The activation of C—C bonds by transition-metal complexes is of continuing interest and acetonitrile (MeCN) has attracted attention as a cyanide source with comparatively low toxicity for organic cyanation reactions. A diiron end-on μ-η¹:η¹-CN-bridged complex was obtained from a crystallization experiment of an open-chain iron–NHC complex, namely, μ-cyanido-k²C:N-bis{[(acetonitrilekN)[3,3⁰-bis(pyridin-2-yl)-1,1⁰-(methylidene)bis(benzimidazol-2-ylidene)]iron(II)} tris(hexafluorophosphate), [Fe₂(CN)(C₂H₃N)₂(C₂₅H₁₈N₆)₂](PF₆)₃. The cyanide appears to originate from the MeCN solvent by C—C bond cleavage or through carbon–hydrogen oxidation.

Original language	English
Pages (from-to)	534-537
Number of pages	4
Journal	Acta Crystallographica Section C: Structural Chemistry
Volume	80
Issue number	Pt 9
DOIs	https://doi.org/10.1107/S2053229624007058
State	Published - 1 Sep 2024

Keywords

N-heterocyclic carbene
NHC
acetonitrile cleavage
crystal structure
cyanation
organometallic iron(II) complex

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10.1107/S2053229624007058

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title = "Formation of a diiron–(l-g1:g1-CN) complex from acetonitrile solution",

abstract = "The activation of C—C bonds by transition-metal complexes is of continuing interest and acetonitrile (MeCN) has attracted attention as a cyanide source with comparatively low toxicity for organic cyanation reactions. A diiron end-on μ-η1:η1-CN-bridged complex was obtained from a crystallization experiment of an open-chain iron–NHC complex, namely, μ-cyanido-k2C:N-bis\{[(acetonitrilekN)[3,30-bis(pyridin-2-yl)-1,10-(methylidene)bis(benzimidazol-2-ylidene)]iron(II)\} tris(hexafluorophosphate), [Fe2(CN)(C2H3N)2(C25H18N6)2](PF6)3. The cyanide appears to originate from the MeCN solvent by C—C bond cleavage or through carbon–hydrogen oxidation.",

keywords = "N-heterocyclic carbene, NHC, acetonitrile cleavage, crystal structure, cyanation, organometallic iron(II) complex",

author = "Schlachta, \{Tim P.\} and Sauer, \{Michael J.\} and Richter, \{Leon F.\} and K{\"u}hn, \{Fritz E.\}",

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journal = "Acta Crystallographica Section C: Structural Chemistry",

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T1 - Formation of a diiron–(l-g1:g1-CN) complex from acetonitrile solution

AU - Schlachta, Tim P.

AU - Sauer, Michael J.

AU - Richter, Leon F.

AU - Kühn, Fritz E.

PY - 2024/9/1

Y1 - 2024/9/1

N2 - The activation of C—C bonds by transition-metal complexes is of continuing interest and acetonitrile (MeCN) has attracted attention as a cyanide source with comparatively low toxicity for organic cyanation reactions. A diiron end-on μ-η1:η1-CN-bridged complex was obtained from a crystallization experiment of an open-chain iron–NHC complex, namely, μ-cyanido-k2C:N-bis{[(acetonitrilekN)[3,30-bis(pyridin-2-yl)-1,10-(methylidene)bis(benzimidazol-2-ylidene)]iron(II)} tris(hexafluorophosphate), [Fe2(CN)(C2H3N)2(C25H18N6)2](PF6)3. The cyanide appears to originate from the MeCN solvent by C—C bond cleavage or through carbon–hydrogen oxidation.

AB - The activation of C—C bonds by transition-metal complexes is of continuing interest and acetonitrile (MeCN) has attracted attention as a cyanide source with comparatively low toxicity for organic cyanation reactions. A diiron end-on μ-η1:η1-CN-bridged complex was obtained from a crystallization experiment of an open-chain iron–NHC complex, namely, μ-cyanido-k2C:N-bis{[(acetonitrilekN)[3,30-bis(pyridin-2-yl)-1,10-(methylidene)bis(benzimidazol-2-ylidene)]iron(II)} tris(hexafluorophosphate), [Fe2(CN)(C2H3N)2(C25H18N6)2](PF6)3. The cyanide appears to originate from the MeCN solvent by C—C bond cleavage or through carbon–hydrogen oxidation.

KW - N-heterocyclic carbene

KW - NHC

KW - acetonitrile cleavage

KW - crystal structure

KW - cyanation

KW - organometallic iron(II) complex

UR - https://www.scopus.com/pages/publications/85203205146

U2 - 10.1107/S2053229624007058

DO - 10.1107/S2053229624007058

M3 - Article

C2 - 39115534

AN - SCOPUS:85203205146

SN - 2053-2296

VL - 80

SP - 534

EP - 537

JO - Acta Crystallographica Section C: Structural Chemistry

JF - Acta Crystallographica Section C: Structural Chemistry

IS - Pt 9

ER -

Formation of a diiron–(l-g¹:g¹-CN) complex from acetonitrile solution

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Keywords

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