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Title

The supramolecular assembly of cyanurate cobalt(II) complexes: Crystal structure, TD-DFT approach and thermal study

AuthorsMistri, Soumen; García-Granda, Santiago ; Zangrando, Ennio; Manna, Subal Chandra
KeywordsDFT analysis
Cyanuric acid
Cobalt
N-H∙∙∙O hydrogen bond
Issue Date2014
PublisherCouncil of Scientific & Industrial Research (India)
CitationIndian Journal of Chemistry 53A(2): 135-142 (2014)
AbstractThe synthesis, structural elucidation and TD-DFT analysis of the self-assembly of a cobalt(II) complex with cyanuric acid is reported. The asymmetric unit in the crystal comprises a cobalt complex cation, [Co(H2CA)(H2O)5]+(H3CA = cyanuric acid), a cyanurate mono anion, and two lattice water molecules, which are assembled in the supramolecular network via pair-wise coupling of N-H···O type occurring between the ion pairs and additional hydrogen bonds involving aqua ligands and lattice water molecules.
DescriptionCC Attribution-Noncommercial-No Derivative Works 2.5 India.
Publisher version (URL)http://nopr.niscair.res.in/handle/123456789/26648
URIhttp://hdl.handle.net/10261/113069
Identifiersissn: 0376-4710
e-issn: 0975-0975
Appears in Collections:(CINN) Artículos
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