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

Author(s):  
Juan F. Torres ◽  
Nestor J. Bello-Vieda ◽  
Mario A. Macías ◽  
Renato Rabelo ◽  
Francisco Lloret ◽  
...  

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.

2010 ◽  
Vol 65 (10) ◽  
pp. 1240-1244 ◽  
Author(s):  
Bao Lin Liu ◽  
Juan Dang ◽  
Shuang Quan Zang ◽  
Qing Lun Wang ◽  
Ruo Jie Tao

A new dissymmetrical oxamidate ligand has been used to construct a metal-organic network. Using this ligand, a novel coordination polymer, namely {[Cu(obea)]2Cu・CH3OH・H2O}n (1) [H3obea = N1-(2-carboxyphenyl)-N2-(2-hydroxyethyl)oxalamide] has been synthesized and characterized by single-crystal X-ray analysis. The structure of complex 1 consists of neutral trinuclear complex units. Through syn-anti carboxylate bridges, the complex features a 2D structure with a helical substructure. Its magnetic properties have been investigated.


Polyhedron ◽  
1997 ◽  
Vol 16 (8) ◽  
pp. 1377-1380 ◽  
Author(s):  
Hao Xu ◽  
Jian-Zhong Zou ◽  
Jin-Yu Li ◽  
Zheng Xu ◽  
Xiao-Zeng You ◽  
...  

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