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A Bis(diazadiene) Adduct of MoCl 2 : Mononuclear, Octahedral, Undistorted and Diamagnetic
Author(s) -
Stoffelbach François,
Rebière Bertrand,
Poli Rinaldo
Publication year - 2004
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200300168
Subject(s) - chemistry , diamagnetism , octahedron , adduct , crystallography , ligand (biochemistry) , metal , molecule , magnetic susceptibility , crystal structure , organic chemistry , biochemistry , physics , receptor , quantum mechanics , magnetic field
The complex [MoCl 2 ( i Pr 2 dad) 2 ] ( i Pr 2 dad = i PrN=CH−CH=N− i Pr) is obtained in one step by reduction of [MoCl 3 (THF) 3 ] in the presence of i Pr 2 dad. The X‐ray structure reveals a relatively undistorted octahedral coordination geometry with a relative cis configuration and points to a more appropriate description of the ligands as enediamides. The NMR investigation is in agreement with the same cis structure in solution and underlines the diamagnetism of the compound, at odds with previously reported very similar complexes. A bulk magnetic susceptibility measurement further confirms the compound’s diamagnetism. No equilibrium with a dinuclear, metal‐metal bonded species is apparent from the solution studies. A DFT calculation on the real molecule and on two R 2 dad model systems with R = Ph and 4‐HOC 6 H 4 reveals how the ligand periphery delicately controls the magnetic and structural properties of this system. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)