Articles with "preference electronic" as a keyword



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Coordination’s preference and electronic structure of N-heterocyclic carbene–monometallic complexes: DFT evaluation of σ-bonding and π-backbonding interactions

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Published in 2020 at "Theoretical Chemistry Accounts"

DOI: 10.1007/s00214-020-02628-6

Abstract: The geometrical parameters, the electronic structures and the nature of the chemical bonding for complexes of the type (NqMes)M[Cl(CO)2] (NqMes = naphtoquinone-annulated NHC ligand and M = V, Mn, Re, Co, Rh, Cu) which possess even electron counts have… read more here.

Keywords: coordination; electronic structure; bonding backbonding; preference electronic ... See more keywords