TY - JOUR
T1 - High-throughput study of the Cu(CH3COO)2· H2O-5-nitroisophthalic acid-heterocyclic ligand system
T2 - Synthesis, structure, magnetic, and heterogeneous catalytic studies of three copper nitroisophthalates
AU - Sarma, Debajit
AU - Ramanujachary, K. V.
AU - Stock, Norbert
AU - Natarajan, Srinivasan
PY - 2011/4/6
Y1 - 2011/4/6
N2 - A high-throughput screening was employed to identify new compounds in Cu(CH3COO)2·H2O-NIPA-heterocyclic ligand systems. Of the compounds identified, three compounds, [Cu3{(NO 2)-C6H3-(COO)2}3(C 3N6H6)] (I), [Cu2(μ3- OH)(H2O){(NO2)-C6H3-(COO) 2}(CN4H)]·(H2O) (II), and [Cu 2(μ3-OH)(H2O){(NO2)-C 6H3-(COO)2}(CN5H2)] ·2(H2O) (III), have been isolated as good quality single crystals by employing conventional hydrothermal methods. Three other compounds, Cu2{(NO2)-C6H3-(COO) 2}(CN4H)(H2O) (IIa), Cu2{(NO 2)-C6H3-(COO)2}(CN5H 2) (IIIa), and Cu2{(NO2)-C6H 3-(COO)2}{(CN5H2) 2}2H2O (IIIb), were identified by a combination of elemental analysis, thermogravimetric analysis (TGA), and IR spectroscopic studies, although their structures are yet to be determined. The single crystalline compounds were also characterized by elemental analysis, TGA, IR, UV-vis, magnetic, and catalytic studies. The structures of the compounds have paddle wheel (I) and infinite Cu-O(H)-Cu chains (II and III) connected with NIPA and heterocyclic ligands forming two- (II) and three-dimensional (I and III) structures. The bound and lattice water molecules in II and III could be reversibly removed/inserted without affecting the structure. In the case of II, the removal of water gives rise to a structural transition, but the dehydrated phase reverts back to the original phase on prolonged exposure to atmospheric conditions. Magnetic studies indicate an overall antiferromagnetism in all of the compounds. Lewis acid catalytic studies indicate that compounds II and III are active for cyanosilylation of imines.(Figure Presented)
AB - A high-throughput screening was employed to identify new compounds in Cu(CH3COO)2·H2O-NIPA-heterocyclic ligand systems. Of the compounds identified, three compounds, [Cu3{(NO 2)-C6H3-(COO)2}3(C 3N6H6)] (I), [Cu2(μ3- OH)(H2O){(NO2)-C6H3-(COO) 2}(CN4H)]·(H2O) (II), and [Cu 2(μ3-OH)(H2O){(NO2)-C 6H3-(COO)2}(CN5H2)] ·2(H2O) (III), have been isolated as good quality single crystals by employing conventional hydrothermal methods. Three other compounds, Cu2{(NO2)-C6H3-(COO) 2}(CN4H)(H2O) (IIa), Cu2{(NO 2)-C6H3-(COO)2}(CN5H 2) (IIIa), and Cu2{(NO2)-C6H 3-(COO)2}{(CN5H2) 2}2H2O (IIIb), were identified by a combination of elemental analysis, thermogravimetric analysis (TGA), and IR spectroscopic studies, although their structures are yet to be determined. The single crystalline compounds were also characterized by elemental analysis, TGA, IR, UV-vis, magnetic, and catalytic studies. The structures of the compounds have paddle wheel (I) and infinite Cu-O(H)-Cu chains (II and III) connected with NIPA and heterocyclic ligands forming two- (II) and three-dimensional (I and III) structures. The bound and lattice water molecules in II and III could be reversibly removed/inserted without affecting the structure. In the case of II, the removal of water gives rise to a structural transition, but the dehydrated phase reverts back to the original phase on prolonged exposure to atmospheric conditions. Magnetic studies indicate an overall antiferromagnetism in all of the compounds. Lewis acid catalytic studies indicate that compounds II and III are active for cyanosilylation of imines.(Figure Presented)
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U2 - 10.1021/cg1015934
DO - 10.1021/cg1015934
M3 - Article
AN - SCOPUS:79953856312
SN - 1528-7483
VL - 11
SP - 1357
EP - 1369
JO - Crystal Growth and Design
JF - Crystal Growth and Design
IS - 4
ER -