Wang Ji-Xiao, Wang Che, Wang Xuan, Wang Xin-Yu, Xing Yong-Heng, Sun Qiao
College of Chemistry and Chemical Engineering, Liaoning Normal University, Huanghe Road 850(#), Dalian City 116029, PR China.
College of Chemistry and Chemical Engineering, Liaoning Normal University, Huanghe Road 850(#), Dalian City 116029, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2015 May 5;142:55-61. doi: 10.1016/j.saa.2015.01.118. Epub 2015 Feb 9.
Two copper complexes, Cu(SCN)(Mpz(∗)T-(EtO)2) (1) (Mpz(∗)T-(EtO)2=L3) and CuCl(H2O)(Mpz(∗)T-O2) (2) (Mpz(∗)T-O2=L4) were synthesized by the reaction of 2,4,6-tri(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine (L1) or 2,4,6-tri(1H-pyrazol-1-yl)-1,3,5-triazine (L2) with CuCl2·2H2O in anhydrous ethanol and methanol, respectively. The complexes were characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, single crystal X-ray diffraction and X-ray powder diffraction. The structural characterizations and quantum mechanical calculations of the two complexes were analyzed in detail. It was found that an in site reaction occurred during the synthesis process of complexes 1 and 2, likely due to catalytic property of copper ions which leads to the C-N bond cleavage to generate new organic species, namely, Mpz(∗)T-(EtO)2 (L3) and Mpz(∗)T-O2 (L4).
通过使2,4,6 - 三（3,5 - 二甲基吡唑 - 1 - 基）-1,3,5 - 三嗪（L1）或2,4,6 - 三（1H - 吡唑 - 1 - 基）-1,3,5 - 三嗪（L2）分别与CuCl₂·2H₂O在无水乙醇和甲醇中反应，合成了两种铜配合物，即Cu(SCN)(Mpz(∗)T-(EtO)₂) (1) （Mpz(∗)T-(EtO)₂ = L3）和CuCl(H₂O)(Mpz(∗)T-O₂) (2) （Mpz(∗)T-O₂ = L4）。通过元素分析、红外光谱、热重分析、单晶X射线衍射和X射线粉末衍射对这些配合物进行了表征。详细分析了这两种配合物的结构表征和量子力学计算。结果发现，在配合物1和2的合成过程中发生了原位反应，这可能是由于铜离子的催化性质导致C - N键断裂，生成了新的有机物种，即Mpz(∗)T-(EtO)₂ （L3）和Mpz(∗)T-O₂ （L4）。
