English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/148104
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE
Exportar a otros formatos:


Preparation, first structure analysis, and magnetism of the long-known nickel benzoate trihydrate - a linear Ni···Ni···Ni polymer and its parallels with the active site of urease

AuthorsVráblová, Anna; Falvello, Larry R.; Campo, Javier ; Miklovič, Jozef; Boča, Roman; Černák, Juraj; Tomás, Milagros
KeywordsCarboxylate ligands
X-ray diffraction
Magnetic properties
Thermal properties
Issue Date2016
CitationEuropean Journal of Inorganic Chemistry (6): 928-934 (2016)
AbstractNickel benzoate trihydrate (1) has been prepared in single-crystalline form by the reaction of nickel carbonate with benzoic acid in boiling aqueous solution. Its crystal structure comprises positively charged [Ni(Bz)(HO)] chains, benzoate anions, and one independent water molecule of solvation. The hexacoordinate Ni centers in the chains are triply bridged by one syn-syn carboxylato and two aqua bridges, and adjacent chains are linked by O-H···O hydrogen bonds [O···O distances are in the range 2.647(3)-2.684(3) Å] through solvate water molecules and benzoate anions. Thermal analysis revealed that 1 is stable up to 100 °C; further heating led to full dehydration accompanied by an additional decomposition reaction, as characterized by IR analysis of the intermediates. The geometrical features of the Ni centers have been compared with similar features at the active sites of urease. The effective magnetic moment per formula unit μ has a value of 3.17μ at room temperature and upon cooling reaches a maximum value of 12.39μ at T = 4.6 K, which indicates ferromagnetic coupling between the nearest Ni atoms [3.0671(1) Å] within the chains; at lower temperatures this is counteracted by zero-field splitting.
Publisher version (URL)https://doi.org/10.1002/ejic.201501255
Identifiersdoi: 10.1002/ejic.201501255
e-issn: 1099-0682
issn: 1434-1948
Appears in Collections:(ICMA) Artículos
(ISQCH) Artículos
Files in This Item:
File Description SizeFormat 
EurJIC-2016-6-928-934-ejic.201501255_R11.pdf1,23 MBAdobe PDFThumbnail
Show full item record
Review this work

Related articles:

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.