The heptanuclear and tetracationic nickel(II) complex [Ni7(l3-OH)6(l3-H2L)4](NO3)42MeOH (32MeOH); (H3L is 2,6-bis-[(3-hydroxy-propylimino)-methyl]-4-methyl-phenol), featuring four defective cubanes around a pivotal nickel(II) ion, has been obtained via hydroxido-bridge-induced assemblage of two Ni3 fragments. Presence of azido (N3) and bromido (Br) ions in reactions on the contrary lead to one ligand imine arm hydrolysis and formations of [Ni2(N3)2(l-HL1)2(OH2)2](1) and [Ni2Br2(l-HL1)2(OH2)2](2);where H2L1 is 2-hydroxy-3-[(3-hydroxy-propylimino)-methyl]-5-methyl-benzaldehyde. X-ray structural analyses of 3 show six symmetrically positioned NiIIaround a central NiIIand bridged by six in situ generated hydroxido groups from solvent water molecules. Density functional theory (DFT) calculations have also been performed to predict magnetic behavior of the complexes. The spin density surface of compounds 1 and 2 has been also obtained.

Dinuclear and heptanuclear nickel(II) complexes, Anion coordination induced ligand arm hydrolysis and aggregation around a nickel(II) core

BERTOLASI, Valerio;
2013

Abstract

The heptanuclear and tetracationic nickel(II) complex [Ni7(l3-OH)6(l3-H2L)4](NO3)42MeOH (32MeOH); (H3L is 2,6-bis-[(3-hydroxy-propylimino)-methyl]-4-methyl-phenol), featuring four defective cubanes around a pivotal nickel(II) ion, has been obtained via hydroxido-bridge-induced assemblage of two Ni3 fragments. Presence of azido (N3) and bromido (Br) ions in reactions on the contrary lead to one ligand imine arm hydrolysis and formations of [Ni2(N3)2(l-HL1)2(OH2)2](1) and [Ni2Br2(l-HL1)2(OH2)2](2);where H2L1 is 2-hydroxy-3-[(3-hydroxy-propylimino)-methyl]-5-methyl-benzaldehyde. X-ray structural analyses of 3 show six symmetrically positioned NiIIaround a central NiIIand bridged by six in situ generated hydroxido groups from solvent water molecules. Density functional theory (DFT) calculations have also been performed to predict magnetic behavior of the complexes. The spin density surface of compounds 1 and 2 has been also obtained.
2013
A. K., Gosh; A., Bauzà; Bertolasi, Valerio; A., Frontera; D., Ray
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11392/1817100
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