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- Title
Intermolecular interaction energies and magnetic properties of spin‐isolated multinuclear Cu<sup>II</sup> complexes.
- Authors
Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J.
- Abstract
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 dinuclear complexes (2) and (3) behave as spin‐isolated multinuclear CuII species in contrast to the trinuclear complex with similar ligands.
- Subjects
INTERMOLECULAR interactions; MAGNETIC properties; INTERMOLECULAR forces; SPIN exchange; CRYSTAL structure
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2020, Vol 76, Issue 2, p166
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520620001225