Journal
POLYHEDRON
Volume 53, Issue -, Pages 32-39Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.poly.2013.01.009
Keywords
Schiff base; Hydroxido bridged; Nickel(II); Crystals structure; DFT calculation
Categories
Funding
- Council of Scientific and Industrial Research, New Delhi
- Ministerio de Ciencia e Innovacion (MICINN) of Spain [CTQ2011-27512/BQU, CSD2010-00065]
- FEDER funds
- Direccio General de Recerca i Innovacio del Govern Balear [23/2011]
Ask authors/readers for more resources
The heptanuclear and tetracationic nickel(II) complex [Ni-7(mu(3)-OH)(6)(mu(3)-H2L)(4)](NO3)(4)center dot 2MeOH (3.2MeOH); (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 Ni-3 fragments. Presence of azido (N-3(-)) and bromido (Br-) ions in reactions on the contrary lead to one ligand imine arm hydrolysis and formations of [Ni-2(N-3)(2)(mu-HL1)(2)(OH2)(2)] (1) and [Ni2Br2(mu-HL1)(2)(OH2)(2)] (2); where H(2)L1 is 2-hydroxy-3-[(3-hydroxy-propylimino)-methyl]-5-methyl-benzaldehyde. X-ray structural analyses of 3 show six symmetrically positioned Ni-II around a central Ni-II and 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. (C) 2013 Elsevier Ltd. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available