TY - JOUR
T1 - Synthesis, crystal structure and DFT analysis of a phenoxo bridged Cu(II) complex and an azide and μ3-O mixed bridged trinuclear Cu(II) complex
AU - Ray, Sangita
AU - Konar, Saugata
AU - Jana, Atanu
AU - Das, Kinsuk
AU - Butcher, Ray J.
AU - Mondal, Tapan Kumar
AU - Kar, Susanta Kumar
PY - 2013/2/13
Y1 - 2013/2/13
N2 - One binuclear Cu(II) complex, [Cu2(L1) 2(N3)2] (1), and a trinuclear Cu(II) complex, [Cu3(L2)3(μ1,1N3) 2](ClO4) (2), of two potentially tridentate NNO-donor Schiff base ligands, [2-(1-(2-(4,6-dimethylpyrimidin-2-yl)hydrazono)ethyl) phenol] (HL1) and [2-((2-(4,6-dimethyl pyrimidin-2-yl) hydrazono) methyl) phenol] (HL2), have been synthesized and characterized by elemental analyses, UV-Vis IR spectroscopy, DFT and single crystal X-ray crystallography. The ligands HL1 and HL2 are [1 + 1] condensation products of 2-hydrazino-4,6-dimethylpyrimidine with 2-hydroxy acetophenone and salicylaldehyde respectively. In 1, the two Cu(II) centers are bridged by μ-phenoxo groups. In 2, the three Cu(II) centers are held together by two μ1,1 bridging azide ions and a phenoxo oxygen atom which binds the three metal centers and behaves as a μ3-O atom. The geometries of the complexes have been optimized using the UB3LYP level of theory. The calculation confirms that all the copper centers are five coordinate with distorted square pyramidal geometries, which is consistent with the experimental data.
AB - One binuclear Cu(II) complex, [Cu2(L1) 2(N3)2] (1), and a trinuclear Cu(II) complex, [Cu3(L2)3(μ1,1N3) 2](ClO4) (2), of two potentially tridentate NNO-donor Schiff base ligands, [2-(1-(2-(4,6-dimethylpyrimidin-2-yl)hydrazono)ethyl) phenol] (HL1) and [2-((2-(4,6-dimethyl pyrimidin-2-yl) hydrazono) methyl) phenol] (HL2), have been synthesized and characterized by elemental analyses, UV-Vis IR spectroscopy, DFT and single crystal X-ray crystallography. The ligands HL1 and HL2 are [1 + 1] condensation products of 2-hydrazino-4,6-dimethylpyrimidine with 2-hydroxy acetophenone and salicylaldehyde respectively. In 1, the two Cu(II) centers are bridged by μ-phenoxo groups. In 2, the three Cu(II) centers are held together by two μ1,1 bridging azide ions and a phenoxo oxygen atom which binds the three metal centers and behaves as a μ3-O atom. The geometries of the complexes have been optimized using the UB3LYP level of theory. The calculation confirms that all the copper centers are five coordinate with distorted square pyramidal geometries, which is consistent with the experimental data.
KW - Copper(II) complexes
KW - DFT
KW - Pyrimidine derived Schiff base ligands
KW - Spectral properties
KW - X-ray crystal structures
UR - https://www.scopus.com/pages/publications/84870208114
U2 - 10.1016/j.poly.2012.09.061
DO - 10.1016/j.poly.2012.09.061
M3 - Article
AN - SCOPUS:84870208114
SN - 0277-5387
VL - 50
SP - 51
EP - 58
JO - Polyhedron
JF - Polyhedron
IS - 1
ER -