化学学报 ›› 1992, Vol. 50 ›› Issue (8): 746-751. 上一篇    下一篇

研究论文

复合阴离子稀土穴醚配合物的分子和晶体结构研究

李月军;朱其秀;许振华;徐光宪;韩玉真;马 生   

  1. 北京大学化学系;北京大学物理化学研究所;中国地质大学
  • 出版日期:1992-08-15 发布日期:1992-08-15

Crystal and molecular structure of a cryptate H2Yb(NCS)~3(NO3)~2.H2O.(2,2,2)

LI YUEJUN;ZHU QIXIU;XU ZHENHUA;XU GUANGXIAN;HAN YUZHEN;MA   

  • Online:1992-08-15 Published:1992-08-15

首次合成了稀土元素镱的异硫氰酸、硝酸复合阴离子穴醚(2,2,2)配合物H2Yb(NCS)~3(NO3)~2.H2O.(2,2,2)。测定了它的晶体结构及红外光谱, 发现Yb^3+没有进入穴醚空穴, 它通过H2O桥以氢键与穴醚的O原子结合。经研究认为, 分子中2个H^+结合在穴醚中2个N原子上。与Yb^3+配位的异硫氰酸根、硝酸根及分子形成八配位的三角十二面几何构型。晶体属单斜晶系, 空间群:P2~1/n。

关键词: 晶体结构测定, 红外分光光度法, 镱络合物, 异硫氰酸, 硝酸盐 P, 穴醚配合物

The title compound is monoclinic, space group P21/n, with a 1.2254(4), b 2.638(1), c 1.0735(3) nm, and b 98.82(2)? Z = 4. The atomic coordinates are given. The structure was solved by direct methods and refined by least-squares to R = 0.053. The IR spectra are described. The Yb3+ ion is not in the cryptand cavity but is connected to it through a H2O bridge by 2 H bonds. The 2 H+ are bound to the 2 N atoms of the cryptand. The Yb3+ is in dodecahedral coordination with the NO3-, NCS-, and H2O. The bond lengths and angles are given.

Key words: CRYSTAL STRUCTURE DETERMINATION, INFRARED SPECTROPHOTOMETRY, YTTERBIUM COMPLEX, ISOTHIOCYANIC ACID, NITRATE P

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