Hydrogen-Bonded Assembly of Water and Chloride in a 3D Supramolecular Host

The hydrogen-bonded water-chloride assembly {[(H2O)14Cl2]2-} n , which is stabilized in a template of metal organic supramolecular host (MOSH) {[Cu4(phen)4(adi)(OH)2Cl2]2+} n (adi = adipate dianion; phen = 1,10-phenanthroline), was isolated. DFT calculations corroborate the X-ray crystal structure o...

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Veröffentlicht in:	Crystal growth & design 2006-01, Vol.6 (1), p.36-39
Hauptverfasser:	Ghosh, Ananta Kumar, Ghoshal, Debajyoti, Ribas, Joan, Mostafa, Golam, Chaudhuri, Nirmalendu Ray
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Density functional theory, local density approximation Electron states Exact sciences and technology Physics Theories and models of many electron systems
Online-Zugang:	Volltext
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Zusammenfassung:	The hydrogen-bonded water-chloride assembly {[(H2O)14Cl2]2-} n , which is stabilized in a template of metal organic supramolecular host (MOSH) {[Cu4(phen)4(adi)(OH)2Cl2]2+} n (adi = adipate dianion; phen = 1,10-phenanthroline), was isolated. DFT calculations corroborate the X-ray crystal structure of the hydrogen-bonded water-chloride assembly. The variable temperature magnetic study also corroborates the single-crystal structure.
ISSN:	1528-7483 1528-7505
DOI:	10.1021/cg050423i