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  1. Home
  2. Indian Institute of Technology Madras
  3. Publication5
  4. A Dicobalt Coordination Complex with a Short Cobalt-Cobalt Distance
 
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A Dicobalt Coordination Complex with a Short Cobalt-Cobalt Distance

Date Issued
31-07-2018
Author(s)
Kumar, Jayasree
Gorantla, N. V.T.Sai Manoj
Roy, Sudipta
Paesch, Alexander Noel
Herbst-Irmer, Regine
Stalke, Dietmar
Anusha, Chakkittakandiyil
De, Susmita
Parameswaran, Pattiyil
Roesky, Herbert W.
Mondal, Kartik Chandra 
Indian Institute of Technology, Madras
DOI
10.1002/slct.201801172
Abstract
The existence of a metal-metal bond in organometallic and coordination complexes is a very important aspect. Metal-carbonyl, carbene-metal-carbonyl and metal-carbene complexes were studied for having this feature. Herein, an air stable dark green color dicobalt coordination complex [Co(III)2(hep)3(N3)3] (1) [hepH = 2-(2-ethylhydroxy)pyridine] with three μ-alkoxide bridges has been synthesized and characterized by X-ray single crystal diffraction, NMR and UV/vis spectroscopy. Complex 1 has a short Co⋅⋅⋅Co distance (2.595(6) Å) and thus it has been studied by theoretical calculations. QTAIM (quantum theory of atoms in molecules) as well as EDA-NOCV analysis (energy decomposition analysis - natural orbitals for chemical valence) do not indicate any significant metal-metal interaction. The bonding in 1 can be best represented by the interaction of two alkokxy bridged valence electrons fragment Co(III)(hep)2N3 (3d6) with Co(III)(hep)(N3)2 (3d6) where the donation of the lone pair of electrons from three bridging Ohep-atoms stabilizes the dinuclear Co(III) complex. Additionally, thermolysis of 1 at 550 oC led to the formation sponge like Co3O4 oxide.
Volume
3
Subjects
  • Co O oxide 3 4

  • Co−Co distance

  • DFT and EDA-NOCV

  • Dicobalt complex

  • Thermolysis

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