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在甲醇水混合溶剂中,以2,2’-联苯二甲酸,邻菲啰啉为配体与高氯酸锰合成了标题配合物Mn_2(phen)_6(ClO_4)_4。配合物(C_(30)H_(24)C_(l2)MnN_6O_(8.12),分子量为724.39),晶体属单斜晶系,空间群C2,晶胞参数:a=2.317 5(3)nm,b=1.464 98(17))nm,c=2.172 2(4)nm,β=114.631 0°,V=6.703 9(16)nm~3,Dc=1.435g/cm~3,Z=4,F(000)=2 960,μ=0.611mm~(-1),。最终偏离因子R_1=0.076 2,wR_2=0.199 8。晶体结构表明:锰原子与3个邻菲啰啉的6个氮原子配位,形成六配位的变形四面体结构。对该配合物进行了量子化学计算。
The title complex Mn_2 (phen) _6 (ClO_4) _4 was synthesized with 2,2’-biphenyldicarboxylic acid and 1,10-phenanthroline and manganese perchlorate in methanol-water mixed solvent. (C_ (30) H_ (24) C_ (12) MnN_6O_ (8.12)) with a molecular weight of 724.39. The crystal belongs to monoclinic system with space group C2. The unit cell parameters are a = 2.317 5 (3) nm, b = 1.46498 (17) nm, c = 2.172 2 (4) nm, β = 114.631 0 °, V = 6.703 9 (16) nm ~ 3, Dc = 1.435g / cm ~ 3, Z = 4, F 000) = 2 960, μ = 0.611 mm -1. The final deviation factor R_1 = 0.076 2, wR_2 = 0.199 8. The crystal structure shows that the manganese atom coordinates with the six nitrogen atoms of the three phenanthrolines to form hexa-coordinated tetrahedral tetrahedral structure. The complex was calculated by quantum chemistry.