物理化学学报 >> 2010, Vol. 26 >> Issue (01): 259-264.doi: 10.3866/PKU.WHXB20100122

材料物理化学 上一篇    

酸性橙插层锌铝水滑石的组装及其结构与性能

何书珩, 蒲敏, 李军男, 何静, EVANS David G.   

  1. 北京化工大学化工资源有效利用国家重点实验室, 北京 100029
  • 收稿日期:2009-07-16 修回日期:2009-10-04 发布日期:2009-12-29
  • 通讯作者: 蒲敏 E-mail:pumin@mail.buct.edu.cn

Assembly, Structure and Properties of Acid Orange 7-Pillared Zn/Al Hydrotalcite

HE Shu-Heng, PU Min, LI Jun-Nan, HE Jing, EVANS David G.   

  1. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, P. R. China
  • Received:2009-07-16 Revised:2009-10-04 Published:2009-12-29
  • Contact: PU Min E-mail:pumin@mail.buct.edu.cn

摘要:

采用共沉淀法合成酸性橙阴离子插层锌铝水滑石(Zn/Al-AO7 LDHs), 研究不同pH值及原料金属离子配比对产物结构的影响, 利用X射线粉末衍射(XRD), 热分析(TG-DTA), 傅里叶变换红外(FT-IR)等表征手段, 对插层产物的结构进行表征, 确定了制备酸性橙插层锌铝水滑石的最适宜条件. 用量子化学的B3PW91/6-31G(d,p)方法对Zn/Al-AO7 LDHs模型分子的空间几何构型进行了优化, 通过结构组合得到的层间距为2.33 nm, 接近XRD测试得到的层间距, 从而说明了酸性橙离子在水滑石层板间的排列方式. 进一步以甲酰胺为溶剂对水滑石层板进行剥离, 得到澄清溶液, 根据剥离产物的XRD谱可以确定剥离实验成功.

关键词: 密度泛函理论, 锌铝水滑石, 酸性橙, 层板剥离, 量子化学计算

Abstract:

Acid orange 7 (AO7)-pillared Zn/Al layered double hydroxides (Zn/Al-AO7 LDHs) were successfully synthesized using the co-precipitation method. In this experiment, synthetic parameters such as the pH value and the ratios of raw materials were varied to study their influences on the structure of Zn/Al-AO7 LDHs. Sample characterization was carried out using X-ray diffraction (XRD), thermal analysis (TG-DTA), and Fourier transform infrared (FT-IR) spectroscopy. The molecular geometries of the Zn/Al-AO7 LDHs model were calculated at the B3PW91/6-31G(d, p) level and the gallery heights were 2.33 nm, which agreed well with the experimental results. Formamide was chosen as a solvent for the layered double hydroxide delamination experiment. XRD patterns showed that all the layers had been delaminated.

Key words: Density functional theory, Zn/Al-LDHs, Acid orange 7, Delamination, Quantumchemistry calculation

MSC2000: 

  • O641