The 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.



Titolo: The supramolecular assembly of cyanurate cobalt(II) complexes: Crystal structure, TD-DFT approach and thermal study
Autori: 
ZANGRANDO, ENNIO
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Data di pubblicazione: 2014
Rivista: 
INDIAN JOURNAL OF CHEMISTRY. SECTION A, INORGANIC, BIO-INORGANIC, PHYSICAL, THEORETICAL & ANALYTICAL CHEMISTRY.  
Abstract: The 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.
Handle: http://hdl.handle.net/11368/2837175
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