Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

A Stable Homoleptic Organometallic Iron(IV) Complex

Prakash, Om LU ; Chábera, Pavel LU ; Rosemann, Nils W. LU ; Huang, Ping LU ; Häggström, Lennart ; Ericsson, Tore ; Strand, Daniel LU ; Persson, Petter LU ; Bendix, Jesper and Lomoth, Reiner , et al. (2020) In Chemistry - A European Journal 26(56). p.12728-12732
Abstract

A homoleptic organometallic FeIV complex that is stable in both solution and in the solid state at ambient conditions has been synthesized and isolated as [Fe(phtmeimb)2](PF6)2 (phtmeimb=[phenyl(tris(3-methylimidazolin-2-ylidene))borate]−). This FeIV N-heterocyclic carbene (NHC) complex was characterized by 1H NMR, HR-MS, elemental analysis, scXRD analysis, electrochemistry, Mößbauer spectroscopy, and magnetic susceptibility. The two latter techniques unequivocally demonstrate that [Fe(phtmeimb)2](PF6)2 is a triplet FeIV low-spin S=1 complex in the ground state, in agreement with quantum chemical calculations. The... (More)

A homoleptic organometallic FeIV complex that is stable in both solution and in the solid state at ambient conditions has been synthesized and isolated as [Fe(phtmeimb)2](PF6)2 (phtmeimb=[phenyl(tris(3-methylimidazolin-2-ylidene))borate]−). This FeIV N-heterocyclic carbene (NHC) complex was characterized by 1H NMR, HR-MS, elemental analysis, scXRD analysis, electrochemistry, Mößbauer spectroscopy, and magnetic susceptibility. The two latter techniques unequivocally demonstrate that [Fe(phtmeimb)2](PF6)2 is a triplet FeIV low-spin S=1 complex in the ground state, in agreement with quantum chemical calculations. The electronic absorption spectrum of [Fe(phtmeimb)2](PF6)2 in acetonitrile shows an intense absorption band in the red and near IR, due to LMCT (ligand-to-metal charge transfer) excitation. For the first time the excited state dynamics of a FeIV complex was studied and revealed a ≈0.8 ps lifetime of the 3LMCT excited state of [Fe(phtmeimb)2](PF6)2 in acetonitrile.

(Less)
Please use this url to cite or link to this publication:
author
; ; ; ; ; ; ; ; and , et al. (More)
; ; ; ; ; ; ; ; ; and (Less)
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
high-valent iron, N-heterocyclic carbenes, organometallic complexes, photophysics, transient absorption spectroscopy
in
Chemistry - A European Journal
volume
26
issue
56
pages
5 pages
publisher
Wiley-Blackwell
external identifiers
  • scopus:85090602033
  • pmid:32369645
ISSN
0947-6539
DOI
10.1002/chem.202002158
language
English
LU publication?
yes
id
990d6300-74c6-40c6-86e9-fce93ef65490
date added to LUP
2020-10-02 12:11:53
date last changed
2024-05-15 18:55:17
@article{990d6300-74c6-40c6-86e9-fce93ef65490,
  abstract     = {{<p>A homoleptic organometallic Fe<sup>IV</sup> complex that is stable in both solution and in the solid state at ambient conditions has been synthesized and isolated as [Fe(phtmeimb)<sub>2</sub>](PF<sub>6</sub>)<sub>2</sub> (phtmeimb=[phenyl(tris(3-methylimidazolin-2-ylidene))borate]<sup>−</sup>). This Fe<sup>IV</sup> N-heterocyclic carbene (NHC) complex was characterized by <sup>1</sup>H NMR, HR-MS, elemental analysis, scXRD analysis, electrochemistry, Mößbauer spectroscopy, and magnetic susceptibility. The two latter techniques unequivocally demonstrate that [Fe(phtmeimb)<sub>2</sub>](PF<sub>6</sub>)<sub>2</sub> is a triplet Fe<sup>IV</sup> low-spin S=1 complex in the ground state, in agreement with quantum chemical calculations. The electronic absorption spectrum of [Fe(phtmeimb)<sub>2</sub>](PF<sub>6</sub>)<sub>2</sub> in acetonitrile shows an intense absorption band in the red and near IR, due to LMCT (ligand-to-metal charge transfer) excitation. For the first time the excited state dynamics of a Fe<sup>IV</sup> complex was studied and revealed a ≈0.8 ps lifetime of the <sup>3</sup>LMCT excited state of [Fe(phtmeimb)<sub>2</sub>](PF<sub>6</sub>)<sub>2</sub> in acetonitrile.</p>}},
  author       = {{Prakash, Om and Chábera, Pavel and Rosemann, Nils W. and Huang, Ping and Häggström, Lennart and Ericsson, Tore and Strand, Daniel and Persson, Petter and Bendix, Jesper and Lomoth, Reiner and Wärnmark, Kenneth}},
  issn         = {{0947-6539}},
  keywords     = {{high-valent iron; N-heterocyclic carbenes; organometallic complexes; photophysics; transient absorption spectroscopy}},
  language     = {{eng}},
  month        = {{10}},
  number       = {{56}},
  pages        = {{12728--12732}},
  publisher    = {{Wiley-Blackwell}},
  series       = {{Chemistry - A European Journal}},
  title        = {{A Stable Homoleptic Organometallic Iron(IV) Complex}},
  url          = {{http://dx.doi.org/10.1002/chem.202002158}},
  doi          = {{10.1002/chem.202002158}},
  volume       = {{26}},
  year         = {{2020}},
}