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A Dicobalt Coordination Complex with a Short Cobalt‐Cobalt Distance
Author(s) -
Kumar Jayasree,
Gorantla N. V. T. Sai Manoj,
Roy Sudipta,
Paesch Alexander Noel,
HerbstIrmer Regine,
Stalke Dietmar,
Anusha Chakkittakandiyil,
De Susmita,
Parameswaran Pattiyil,
Roesky Herbert W.,
Mondal Kartik Chandra
Publication year - 2018
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201801172
Subject(s) - chemistry , crystallography , lone pair , natural bond orbital , cobalt , carbene , valence electron , metal , coordination complex , organometallic chemistry , valence (chemistry) , molecule , inorganic chemistry , crystal structure , electron , catalysis , organic chemistry , physics , quantum mechanics
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 (N 3 ) 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) 2 N 3 (3d 6 ) with Co(III)(hep)(N 3 ) 2 (3d 6 ) where the donation of the lone pair of electrons from three bridging O hep ‐atoms stabilizes the dinuclear Co(III) complex. Additionally, thermolysis of 1 at 550 o C led to the formation sponge like Co 3 O 4 oxide.