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含苯并咪唑锌配合物的合成、表征及晶体结构 被引量:15
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作者 朱莉 廖展如 +3 位作者 龙云飞 刘胜利 田莉 张磬 《无机化学学报》 SCIE CAS CSCD 北大核心 2004年第4期399-402,共4页
The complex of[N,N,N ’ ,N ’- tetrakis(2 - benzimida zolyl methyl) - 1,4 - diethylene amino] - glycol ether(EGTB)with zinc (Ⅱ) ,[Zn 2 (EGTB)Cl 2 ](ClO 4 ) 2 · CH 3 OH · 3H 2 O was synthesized and character... The complex of[N,N,N ’ ,N ’- tetrakis(2 - benzimida zolyl methyl) - 1,4 - diethylene amino] - glycol ether(EGTB)with zinc (Ⅱ) ,[Zn 2 (EGTB)Cl 2 ](ClO 4 ) 2 · CH 3 OH · 3H 2 O was synthesized and characterized with element analysis,UV and IR spectroscopy,and X - ray diffraction method.The crystal belongs to monoclinic with space group of P2 1 /c.The cell parameters are a=1.4376(2)nm,b=2.52650(4)nm,c=1.43531(2)nm,β =101.7037(8) ° ,Z=4,F(000)=2376,D c =1.503g · cm -3 ,The final R=0.0804,wR 2 =0.2236.Biological activities of the complexe was traced by UV - Vis spectrum.The result demonstrates that the complexe has good catalytic abliliy.CCDC:180994. 展开更多
关键词 苯并咪唑锌配合物 合成 表征 晶体结构 模拟金属水解酶 活性
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三(苯并咪唑-2-亚甲基胺)锌配合物的晶体结构和量化计算 被引量:1
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作者 孙云 赵茹 +2 位作者 尹宇新 马燕 刘小兰 《天津师范大学学报(自然科学版)》 CAS 2003年第3期4-7,共4页
以三(苯并咪唑-2-亚甲基胺)(NTB)为配体合成了ZnNTB·(NO3)2·DIPY·DMF(DIPY:4,4'-联吡啶)的单核锌配合物,用X-射线衍射法对其晶体结构进行了测定.晶体学参数:C37H36N12O7Zn,Mr=826.16,triclinic,a=0.9856(3)nm,b=1.26... 以三(苯并咪唑-2-亚甲基胺)(NTB)为配体合成了ZnNTB·(NO3)2·DIPY·DMF(DIPY:4,4'-联吡啶)的单核锌配合物,用X-射线衍射法对其晶体结构进行了测定.晶体学参数:C37H36N12O7Zn,Mr=826.16,triclinic,a=0.9856(3)nm,b=1.2655(4)nm,c=1.5965(5)nm,α=81.714(5)o,β=76.601(5)o,γ=81.504(5)o,V=1.9032(10)nm3,Dc=1.442g/cm3,Z=2,F(000)=856,μ=0.712mm-1,空间群为P-1.采用经典的邻苯三酚自氧化法,对配合物进行了活性测试,其pI50值为4.21,说明该配合物具有拟SOD活性.利用G98量子化学程序包,在B3LYP/LanLDZ基组水平上对配合物C37H36N12O7Zn进行量子化学计算,对其分子轨道能量、电荷分布和前线轨道的贡献分析可知,所合成的配合物能与超氧阴离子自由基反应,与活性测试结果相符. 展开更多
关键词 三(苯并咪唑—2—亚甲基胺)配合 晶体结构 量子化学计算 分子轨道能量 电荷分布 前线轨道
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Chemical fixation of carbon dioxide to cyclic carbonates catalyzed by zinc(Ⅱ) complex bearing 1,2-disubstituted benzimidazole ligand
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作者 Jorge L. S. Milani Igor S. Oliveira +4 位作者 Pamella A. Dos Santos Ana K. S. M. Valdo Felipe T. Martins Danielle Cangussu Rafael P.Das Chagas 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2018年第2期245-249,共5页
A new zinc(II)complex of formula[ZnCl2(L1)2](1)[L1=2‐(2‐thienyl)‐1‐(2‐thienylmethyl)‐1Hbenzimidazole]was synthesized and fully characterized by nuclear magnetic resonance and infrared spectroscopy,elemental anal... A new zinc(II)complex of formula[ZnCl2(L1)2](1)[L1=2‐(2‐thienyl)‐1‐(2‐thienylmethyl)‐1Hbenzimidazole]was synthesized and fully characterized by nuclear magnetic resonance and infrared spectroscopy,elemental analysis,electrospray ionization high‐resolution mass spectrometry,and thermogravimetric analysis.The molecular structure was confirmed by single‐crystal X‐ray diffraction.Complex1consists of mononuclear tetrahedral zinc(II)units with a locked geometry resulting from weak intramolecular S···?and?–?interligand interactions.The benzimidazole ligand and its zinc(II)complex were readily obtained through a simple synthetic route.The catalytic activity of1was investigated in the coupling of carbon dioxide with epoxides to produce cyclic carbonates,and a series of parameters were evaluated.The complex efficiently catalyzed the transformation of various epoxides under solvent‐free conditions,with good conversions,turnover numbers,and turnover frequencies. 展开更多
关键词 Carbon dioxide Cyclic carbonate Zinc complex Benzimidazole ligand CYCLOADDITION Homogeneous catalysis
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