Citation: WU Xiu-Juan, CHEN Zhi-Rong. Two New Low Dimensional Lead(Ⅱ) Diiodide Complexes by Introducing Carbonyls on 1,10-Phenanthroline: a Combined Experimental and Theoretical Study[J]. Chinese Journal of Structural Chemistry, ;2014, 33(8): 1164-1170. shu

Two New Low Dimensional Lead(Ⅱ) Diiodide Complexes by Introducing Carbonyls on 1,10-Phenanthroline: a Combined Experimental and Theoretical Study

WU Xiu-Juan ^a ,
CHEN Zhi-Rong ^b,,

a.
a. College of Zhicheng, Fuzhou University, Fuzhou 350002, China;
b.
b. College of Chemistry, Fuzhou University, Fuzhou 350116, China

Corresponding author: CHEN Zhi-Rong,
Received Date: 7 January 2014
Available Online: 30 April 2014
Fund Project: The authors acknowledge the support of National Natural Science Foundation of China (Nos. 21271043) (Nos. 21271043)

Two new low dimensional lead(Ⅱ) diiodide complexes with 1,10-phenanthroline-5,6-dione (Phendione), PbI₂(Phendione)₂ (1) and PbI₂(Phendione)(DMSO)₂ (2), have been synthesized by solution processes and structurally determined by X-ray diffraction method. Both compounds are mononuclear with the lead centers being in highly distorted octahedral environments. Hydrogen bonds and π-π stacking interactions contribute to the structural extension and stabilization. Theoretical calculations based on the DFT/B3LYP level indicate that the introduction of electronic donating groups on the phenanthroline ring can improve the electron density of nitrogen atoms, and they can replace part of the bridged iodine atoms to lower the structural dimensions. Experimental band gaps of about 2.07 and 1.97 eV indicate their semiconductor nature.
- lead halide,
- phenanthroline derivative,
- DFT calculation
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