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化学学报
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化学学报 ›› 1991, Vol. 49 ›› Issue (6): 561-568. 上一篇    下一篇

研究论文

2-甲基-,1-环丙烷二羧酸根乙二胺合铂(II)的晶体结构和振动光谱的简正坐标分析

倪亚萍;李重德;冯骏材;唐雯霞;周忠远   

  1. 南京大学配位化学研究所;中国科学院成都分院分析中心
  • 发布日期:1991-06-15

Crystal structure and normal coordinate analysis of 2-methyl-1,1,-cyclopropanedicarboxylate ethylenediamineplatinum (II)

NI YAPING;LI ZHONGDE;FENG JUNCAI;TANG WENXIA;ZHOU ZHONGYUAN   

  • Published:1991-06-15

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被引次数

3

测定2-甲基-1,1-环丙烷二羧酸根乙二胺合铂(II)([PtenMCPDA])的晶体结构。晶体属正交晶系, 空间群为pn21α, 晶胞参数: a=0.9075(4), b=.0247(4), c=11.394(5)nm;分析Patterson函数, 找到原子坐标, 经差值fourier合成得到全部非氢原子坐标, 用最小二乘法修正, 最终R因子为0.0706。采用U-B力场进行了[Pten MCPDA]的分子简正坐标分析, 振动基频的计算值与观测值相符合, 两者平均偏差6.67cm^-^1, 最大误差16.1cm^-^1, 证实了振动光谱的归属。

关键词: 晶体结构测定, 环丙烷 P, 铂络合物, 振动谱, 最小二乘法, 乙二胺 P, 简正坐标分析

The title compound is orthorhombic, space group Pn21a, with a 0.9075(4), b 1.0247(4), and c 1.1394(5) nm; Z = 4. The structure was solved by Patterson and Fourier techniques and refined by least-squares to R = 0.0706. The U-B force field was used in a normal coordinate anal. The calculated frequencies agree well with the observed values, with average difference 6.67 cm-1 between them. The frequencies were assigned in terms of potential energy distributions among force constants The rationality and the reliability of the result are discussed.

Key words: CRYSTAL STRUCTURE DETERMINATION, CYCLOPROPANE P, PLATINUM COMPLEX, VIBRATIONAL SPECTRA, LEAST SQUARE METHODS, ETHANEDIAMINE P, NORMAL COORDINATE ANALYSIS

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