2-甲基-1,1-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  

Crystal Structure and Normal Coordinate Analysis of 2-Methyl-1,1-cyclopropanedicarboxylate Ethylenediamineplatinum(Ⅱ)

作　　者：倪亚萍[1] 李重德[1] 冯骏材[1] 唐雯霞[1] 周忠远[2] 

机构地区：[1]南京大学配位化学研究所,南京210008 [2]中国科学院成都分院分析中心,成都610015

出　　处：《化学学报》1991年第6期561-568,共8页Acta Chimica Sinica

摘　　要：测定2-甲基4-1-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Pn2_1a,晶胞参数:a=0.9075(4),b=1.0247(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.The title complex [Pten MCPDA] crystallized in the orthorhombic space group Pn2_1α, with lattice parameters: α=0.9075(4), b=1.0247(4), c=1.1394(5)nm, Z=4. The structure was solved by Patterson and Fourier techniques and refined by leastsquares to a final conventional R value of 0.0706. U-B force field was used in a normal coordinate analysis. The calculated frequencies agree well with the observed values, with average difference 6.67cm^(-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.

关 键 词：PtenMCPDA 晶体结构 碳铂 振动光谱 

分 类 号：O614.826[理学—无机化学]