5,10,15,20-四(2-甲氧基苯基)卟啉合钴的晶体和分子结构  

CRYSTAL AND MOLECULAR STRUCTURE OFMESO TETRA(2 METHOXYLPHENYL)PORPHINATOCOBALT(Ⅱ)

作　　者：焦向东[1,2,3] 黄锦汪[1,2,3] 计亮年 王欣[1,2,3] 

机构地区：[1]华南理工大学应用化学系 [2]中山大学化学系 [3]兰州大学分析测试中心

出　　处：《无机化学学报》1997年第2期129-134,共6页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金;广东省自然科学基金

摘　　要：用Ｘ射线测定了５，１０，１５，２０四（２甲氧基苯基）卟啉合钴［ＴＭＯＰＣｏ（Ⅱ）］的晶体结构，实验表明，晶体属正交晶系，空间群Ｐｂｃａ，ａ＝１１．５４４（２），ｂ＝１４．２９４（２），ｃ＝２３．９８４（２），Ｖ＝３９５７３，Ｚ＝４，ｄｃ＝１．３２９ｇ／ｃｍ３，μ（ＣｕＫα）＝３９．４５ｃｍ－１，Ｆ（０００）＝１６４４，Ｒ＝０．０６５７，ＲＷ＝０．０６７５。讨论了邻位取代基立体位阻对结构参数的影响，比较了各种钴卟啉配合物中的Ｃｏ－Ｎ键键长，发现ＴＭＯＰＣｏ（Ⅱ）中存在明显的菱形畸变。Crystal and molecular structure of meso tetra(2 methoxylphenyl) porphinatocobalt(Ⅱ)[TMOPCo(Ⅱ)] have been determined by single crystal X ray diffraction technique. The crystal is orthorhombic, space group Pbca, a=11.544(2), b=14.294(2), c=23.984(2), V=173957 3, Z=4, D c =1.329 g/cm 3, F(000)=1644. The structure was solved by direct methods and Fouries techniques. Least squares refinement on the basis of 1169 unique reflections with I≥3σ(I) led to final R =0.0657 and R W=0.0675. Effect of hindance of substitutents of porphyrin on the structure parameters of porphyrin was discussed, comparison of Co N bond length among some porphinatocobalts has been made, and the rhombic distortion existing in TMOPCo(Ⅱ) has been found.

关 键 词：卟啉化合物 钴配合物 晶体结构 TMOPCo 

分 类 号：O614.812[理学—无机化学]