TY - JOUR
T1 - A novel metal-ligand Iodo-bridged Lead(II) compound
T2 - Synthesis, crystal structure, thermal properties, and DFT calculations of [Pb(dmp)I 2]n
AU - Shaabani, Behrouz
AU - Mirtamizdoust, Babak
AU - Viterbo, Davide
AU - Croce, Gianluca
AU - Hammud, Hassan
PY - 2010/8
Y1 - 2010/8
N2 - A novel 1D PbII coordination polymer [Pb(dmp)I2] n (1) (dmp = 2,9-dimethyl-1,10-phenanthroline) containing a Pb 2-(μ-I)2 unit was synthesized and characterized by elemental analysis, IR, 1H NMR, and 13C NMR spectroscopy and studied by thermal, analysis as well. as X-ray crystallography. The single-crystal X-ray data show that the coordination number of PbII ions is six, i.e. PbN2I4 with "stereo-chemically active" electron lone pairs, and the coordination, sphere is asymmetrical. They also show that the chains interact with each other through π-π stacking interactions, which create a 3D framework. The structure of the title complex has been optimized by density functional theory calculations. The calculated structural, parameters and the IR spectra of the title complex are in agreement with the crystal, structure.
AB - A novel 1D PbII coordination polymer [Pb(dmp)I2] n (1) (dmp = 2,9-dimethyl-1,10-phenanthroline) containing a Pb 2-(μ-I)2 unit was synthesized and characterized by elemental analysis, IR, 1H NMR, and 13C NMR spectroscopy and studied by thermal, analysis as well. as X-ray crystallography. The single-crystal X-ray data show that the coordination number of PbII ions is six, i.e. PbN2I4 with "stereo-chemically active" electron lone pairs, and the coordination, sphere is asymmetrical. They also show that the chains interact with each other through π-π stacking interactions, which create a 3D framework. The structure of the title complex has been optimized by density functional theory calculations. The calculated structural, parameters and the IR spectra of the title complex are in agreement with the crystal, structure.
KW - -π
KW - Coordination polymers
KW - Iodine
KW - Lead
KW - Organic-inorganic hybrid composites
KW - Stacking
KW - π
UR - http://www.scopus.com/inward/record.url?scp=77955486438&partnerID=8YFLogxK
U2 - 10.1002/zaac.200900511
DO - 10.1002/zaac.200900511
M3 - Article
SN - 0044-2313
VL - 636
SP - 1596
EP - 1600
JO - Zeitschrift fur Anorganische und Allgemeine Chemie
JF - Zeitschrift fur Anorganische und Allgemeine Chemie
IS - 8
ER -