The title compound Mn 3(BTC) 2(DMF) 4 (BTC=1,3,5-benzenetricarboxylic acid,DMF=dimethyl formamide) was synthesized under the mild conditions and its crystal structure was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system and belongs to space group P2 1/c with a =1.787 6(4) nm, b =1.179 7(2) nm, c =1.884 8(4) nm, β =116.35(3)°, V = 3.561 9(12) nm 3, Z =4, D c=7.413 Mg/m 3, M r=871.43, μ =5.081 mm -1 , F (000)=8 082, R = 0.045 6 , wR =0.106 3. Its structure reveals that each asymmetric unit of the title polymer contains three Mn(Ⅱ) ions,six BTC and four DMF ligands. The coordination of BTC ligands with Mn(Ⅱ) ions forms a 3D infinite framework having helical chains composed with 2 1 axes and about 0.6 nm× 0.8 nm channels along the [100] direction.
利用动态密度泛函(Dynamic density functional theory,DDFT)方法研究了三维受限下嵌段共聚物的微观相分离,讨论了共聚物链长和表面吸附强度对微观相形成与取向的影响.体系中随机分布的等径微球提供三维限制结构,体积分数为0.6.增加微球的半径和体积分数,能够使其从破坏微相规整结构的纳米掺杂过渡到提供三维限制结构.调整嵌段共聚物与微球表面的相互作用对微相形成与取向有重要影响.
