摘要
测定了四氯二氨合铂(Ⅳ)(cis-Pt(NH_3)_2Cl_4)的晶体结构.晶体属单斜晶系,空间群为C2/c,晶胞参数:a=6.097(3),b=10.188(7),c=11.264(7)(?);β=95.97(4)°;Z=4.利用Patterson法得到Pt原子位置,经差值Fourier合成找到其余非氢原子的位置,用全矩阵最小二乘法修正,最后R因子为0.0676.采用修正的Urey-Bradley力场(以下简称U-B力场)对cis-Pt(NH_3)_2Cl_4的振动光谱进行了简正坐标分析,振动基频的计算值与观测值相符合,两者平均误差为3.61cm_(-1),平均百分误差为0.759％,最大误差为11.9cm^(-1).根据位能分布进行了各振动光谱的归属,并讨论了简正坐标分析中内坐标与力场的关系.
The title complex cis-[Pt(NH3)2Cl4] crystallized in the monoclinic space group C2 / c, with lattice parameters: a = 0.6097(3), b = 1.0188(7), c= 1.1264(7)nm, β= 95.9-7(4)° , Z = 4. The structure was solved by Patterson and Fourier techniques and refined by full-matrix least-square to a final conventional R value of 0.0676. The modified Urcy-Bradley force field was used in a normal coordinate analysis. The calculated frequencies agree well with the observed values, with average deviation 3.61cm-1 or 0.759% between them. The bands were assigned in terms of potential energy distribution. The rationality and the reliability of the results arc discussed.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
1993年第2期187-193,共7页
Chinese Journal of Inorganic Chemistry
关键词
晶体结构
四氯二氨
铂
配合物
crystal structure, internal coordinate, modified U-B force field model
