Citation: FANG Yan, WANG Lei, NI Liang, YAO Jia. Hydrothermal Synthesis, Characterization and Natural Bond Orbital(NBO) Analysis of a Binuclear Lead(Ⅱ) Complex with Cinnamic Acid and Medpq Ligands[J]. Chinese Journal of Inorganic Chemistry, ;2013, 29(7): 1551-1556. doi: 10.3969/j.issn.1001-4861.2013.00.216 shu

Hydrothermal Synthesis, Characterization and Natural Bond Orbital(NBO) Analysis of a Binuclear Lead(Ⅱ) Complex with Cinnamic Acid and Medpq Ligands

FANG Yan ¹ ,
WANG Lei ¹ ,
NI Liang ¹ ,
YAO Jia ²

1.
1 School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang, Jiangsu 212013, China;

Received Date: 20 September 2012
Available Online: 26 February 2013
Fund Project: 江苏省研究生创新计划(No.CXLX11-0851)资助项目。 (No.CXLX11-0851)

A binuclear Pb(Ⅱ) complex [Pb₂(CA)₄(Medpq)₂] (HCA=cinnamic acid, Medpq=2-methyldipyrido[3,2-f:2,3'-h]quinoxaline) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, UV-Vis spectrum, TG, fluorescent emission, single-crystal X-ray diffraction and theoretical calculations. Title compound crystallizes in triclinic, space group P1 with a=0.854 35(17) nm, b=1.250 9(3) nm, c=1.436 6(3) nm, α=107.45(3)°, β=105.63(3)°, γ=97.04(3)°. In the crystal structure, the lead atom is seven-coordinated with two nitrogen atoms from Medpq ligand and five oxygen atoms from three cinnamic acid ligands. Natural bond orbital (NBO) analysis was performed by using the NBO method built in Gaussian 03 Program. The calculation results shown an covalent interaction between the coordinated atoms and Pb(Ⅱ) ion. CCDC: 859036.
- binuclear;Pb(Ⅱ) complex;crystal structure;cinnamic acid;natural bond orbital
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