| 以N, N’-二异丁基-2, 3-二胺基喹喔啉为配体的钴和锌配合物的合成、晶体结构以及性质研究 | |
| Syntheses, Crystal Structure, Properties of Cobalt and Zinc Complexes Based on N,N’-Diisobutyl-2,3-diaminoquinoxaline | |
| 摘要: 以2，3-二氯喹喔啉和异丁胺为原料，合成了N，N’-二异丁基-2，3二胺基喹喔啉（L），并合成了两个标题配合物（[Co（DIDAQX）Cl2]）（1，DIDAQX=N，N’-Diisobutyl-2，3-（1H，4H）-diaminoquinoxaline）和（[Zn（DIDAQX）Cl2]）（2）。并对其进行了红外、元素分析、单晶衍射、热重、荧光、电化学性质等性质研究。且对1做了密度泛函理论（DFT）计算。单晶结构分析表明1和2同构，都属于正交晶系，Pbca空间群，1的晶胞参数：a=1.4082（3）nm，b=1.4628（3）nm，c=1.7970（4）nm；V=3.7017（14）nm3，Z=8。2的晶胞参数：a=1.4082（3）nm，b=1.4648（3）nm，c=1.7969（4）nm；V=3.7065（14）nm3，Z=8。在配合物结构中每个金属原子以四配位的形式分别与2个Cl原子和来自配体的2个N原子配位，形成了一个扭曲的四面体结构。 | |
| 关键词: 钴（Ⅱ）配合物 锌（Ⅱ）配合物 晶体结构 性质 密度泛函理论 | |
| 基金项目: 国家自然科学基金（No.21171075/BO10303，21103073/BO30201）；江苏省研究生创新项目（No.cxzz13_0679）以及国家博士后科学基金（No.2013T60500）资助项目。 | |
| Abstract: N,N'-Diisobutyl-2,3-diaminoquinoxaline was synthesized by 2,3-dichloroquinoxaline and isobutylamine. And the complexes ([Co(DIDAQX)Cl2]) (1, DIDAQX=N,N'-Diisobutyl-2,3(1H,4H)-diaminoquinoxaline) and ([Zn(DIDAQX)Cl2]) (2) (Same revision as above)were prepared, which characterized by elemental analysis, IR spectra, single crystal X-ray diffraction, TGanalysis, fluorescence and electrochemical properties. For 1, DFT and TD-DFT calculations have been performed to obtain its UV-Vis absorption spectrum, and a satisfactory theoretical-experimental agreement was achieved. The crystal structures of complexes 1 and 2 show that they crystallize in orthorhombic space group Pbca with a=1.4082(3) nm, b=1.4628(3) nm, c=1.7970(4) nm; V= 3.7017(14) nm3, Z=8 of 1 and a=1.4082(3) nm, b=1.4648(3) nm, c=1.7969(4) nm; V=3.7065(14) nm3, Z=8 of 2. In the structure of complexes, each metal atom is four coordinated. Besides chelated by the DIDAQX with two nitrogen atoms, the atom is also coordinated by two Cl atoms, thus form a distorted tetrahedral geometry. | |
| Keywords: Cobalt(Ⅱ) complex Zinc(Ⅱ) complex crystal structure property density functional theory | |
| 投稿时间：2013-07-18 修订日期：2014-02-21 | |
| 摘要点击次数: 1986 | |
| 全文下载次数: 3271 | |
| 杨晓,A M Showkot Hossain,朱禹,孟素慈,夏昌坤,谢吉民.以N, N’-二异丁基-2, 3-二胺基喹喔啉为配体的钴和锌配合物的合成、晶体结构以及性质研究[J].无机化学学报,2014,30(5):1160-1166. | |
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