Water Dissociation of a Dinuclear Bis(3,5‐dimethylpyrazolyl)methane Copper(II) Complex: X‐ray Diffraction Structure, Magnetic Properties, and Characteristic Absorption of the (CuN 2 Cl 2 ) 2 Core

Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear CuII complexes

Dinuclear CuII complexes with 3,5-dinitrobenzoates and 2,2′-bipyridine (2) or 1,10-phenanthroline (3) were synthesized and characterized. A complete energy framework analysis using the HF/3-21G energy model was performed which found that dispersion forces and C—H...O interactions are responsible for the crystal structure features. The magnetic properties of the complexes show a weak magnetic exchange between spins, resulting in low exchange constants of −2.72 (1) cm−1 and −1.10 (1) cm−1 for complexes (2) and (3), respectively. This results from the low overlap between magnetic orbitals induced by 3,5-dinitrobenzoate bridges and the arrangement of the magnetic orbitals. Consequently, the din…

CCDC 1822681: Experimental Crystal Structure Determination

Related Article: Juan F. Torres, Nestor J. Bello-Vieda, Mario A. Macias, Alvaro Munoz-Castro, Carlos Rojas-Dotti, Jose Martinez-Lillo, John Hurtado|2018|Eur.J.Inorg.Chem.|2018|3644|doi:10.1002/ejic.201800478