三维超分子配合物[MoO_2(OCH_2C_5H_4N)_2]制备、晶体结构及三阶非线性光学性质

Na_2MoO_4·2H_2O和2-氯甲基吡啶在水中反应得到了超分子化合物：MoO_2 (OCH_2C_5H_4N)_2]。其单晶结构测试表明：该化合物含有两种均为6配位的但化学 环境不同的Mo(1)和Mo(2)原子;由此两种钼原子构成的中性配合物Mo(1)O_2 (OCH_2C_5H_4N_2)]和Mo(2)O_2(OCH_2C_5H_4N)_2]分别通过氢键O…H-C及吡啶环 间的π-π堆积作用形成了二维的A层和B层,A层与B层之间又在层间氢键的作用下 交错形成了三维的网状固态结构。用Z-scan法在DMF溶液中测试了该化合物的三阶 非线性光学性能,发现它有强的非线性吸收(α_2 = 1.92 * 10~(-9) m·W~(-1)) ,非线性极化率X~((3)) = 1.21 * 10~(-12) esu。

Synthesis, Crystal Structure and Third-Order Nonlinear Optical Properties of Three-Dimensional Supramolecular Complex [MoO_2 (OCH_2C_5H_4N)_2]

Supramolecular compound MoO_2(OCH_2C_5H_4N)_2] has been prepared by the reaction of Na_2MoO_4·2H_2O with 2-(chloromethyl) pyridine hydrochloride and structurally characterized by means of X-ray single crystal diffraction. IN the structural unit, there are two kinds of Mo atoms Mo(1) and Mo(2)], both of which are at six coordination geometry but show different chemical environment. Mo(1)O_2 (OCH_2C_5H_4N)_2] and Mo(2) O_2(OCH_2C_5H_4N)_2] form A and B sheets by intra-layer hydrogen bonds O…H-C and π…π interactions, respectively. The inter-layer hydrogen bonds O…H-C connect the A layer and B layer into a "…ABAB…" three-dimensional network in the solid-state. Its third-order nonlinear optical (NLO) properties were determined by Z-scan techniques in DMF solution. The results indicate that the complex exhibits very strong NLO absorption and strong self- focusing. Effect. The third-order NLO absorptive coefficient α_2, refractive index n_2 and effective susceptibility X~((3)) are 1.92 I 10~(-9) m·W~(-1) and 1.21 * 10~(-12) esu, respectively.