| 1,1-环丙烷二羧酸根二氨合铂的晶体结构和振动光谱的简正坐标分析 |
| CRYSTAL STRUCTURE AND NORMAL COORDINATE ANALYSIS OF 1,1-CYCLOPROPANEDICARBOXYLATO DIAMINEPLATINUM(II) |
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| 摘要: 测定了1,1-环丙烷二羧酸根二氨合铂([Pt(NH3)2CPrDCA]·H2O)的晶体结构。晶体属正交晶系,空间群为Pnma,a=6.571(2),b=9.709(3),c=14.205(5)Å,Z=4。用Patterson函数导出Pt原子坐标,经差值Fourier合成获得全部非氢原子坐标,用最小二乘法修正,最终R因子为0.058,采用U-B力场进行了[Pt(NH3)2CPrDCA]分子的简正坐标分析,振动基频的计算值与观测值符合,两者平均偏差5.63cm-1,最大误差15.7cm-1,证实了振动光谱的归属。 |
| 关键词: 铂配合物 晶体结构 简正坐标分析 |
| 基金项目: |
| Abstract: The title complex [Pt(NH3)2CPrDCA] crystallizes in the orthorhombic space group Pnma, with lattice parameters: a = 6.571(2),b = 9.709(3), c= 14.205(5)Å, Z = 4. The structure was solved by Patterson and Fourier techniques and refined by least-squares to a final conventional R value of 0.058. U-B force field was used in a normal coordinate analysis. The calculated frequencies agree well with the observed values, with average difference 5.63 cm-1 between them or a mean deviation of less than 1.0%. The frequencies were assigned in terms of potential energy distributions among force constants. The nationality and the reliability of the result are discussed. |
| Keywords: Pt complex crystal structure mormal coordinate analysis |
| 投稿时间：1988-09-20 |
| 摘要点击次数: 1128 |
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| 黄哲媛,李重德,冯骏材,唐雯霞,周忠远.1,1-环丙烷二羧酸根二氨合铂的晶体结构和振动光谱的简正坐标分析[J].无机化学学报,1990,6(3):287-294. |
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