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101.
102.
Three new cobalt complexes were synthesized by solid-state reaction at room temperature. It was found that one mole of complex reacted with two moles of oxygen at room temperature. And the oxygenated complexes [Co·(L1)2·2O2](NO3)2·2H2O (L1=N,N′-bis(4-hydroxyl-3-methoxy-benzyl)-triethylenetetramine), [Co·(L2)2·2O2](NO3)2 ·2H2O (L2=N,N′-bis(4-hydroxyl-benzyl)-triethylenetetramine) and [Co·L3·2O2](NO3)2·2H2O (L3=N,N′-bis(2-hydroxyl-benzyl)-triethylenetetramine) were obtained and characterized by elemental analysis, IR spectra, 1H NMR, TG/DTA, UV-Vis and molar conductance. The coordinated oxygen contents in the oxygenated complex were also determined by weight method. It was found that one O2 molecule coordinated to the Co ion and formed superoxo type oxygenated complex. 相似文献
103.
TATB固体与表面吸附水的相互作用研究 总被引:3,自引:0,他引:3
TATB(1,3,5-三氨基-2,4,6-三硝基苯)是最著名的耐热钝感炸药;水在 TATB表面的吸附作用研究具有理论和实用双重意义。在B3LYP/6-31G~(**)水平上 ,在对TATB晶体(001)表面作周期性计算的基础上经基组叠加误差(BSSE)校正 ,求得TATB的表面能为-19.90 kJ·mol~(-1),与实验值良好相符;首次求得水在 TATB(001)面的吸附能为-10.25kJ·mol~(-1);重点讨论了吸附前后能带和电子 结构的变化。 相似文献
104.
105.
The enzymatic nitration of phenol and m-cresol catalyzed by horseradish peroxidase was studied in the presence of H2O2 and NaNO2. The results showed that the nitration products of phenol were 2-nitro and 4-nitrophenols. There was also a small amount of by-products of hydroquinone and catechol. The influences of various reaction parameters, including pH, organic solvent type, and concentrations of NaNO2 and H2O2, on the nitration products were investigated. The yields of 4-nitrophenol and 2-nitrophenol were 14% and 12%, respectively. The nitration products of m-cresol were 4-nitro-m-cresol and 6-nitro-m-cresol, and the yields of 4-nitro-m-cresol and 6-nitro-m-cresol were 19% and 30%, respectively. 相似文献
106.
LU Ya-Lin GONG Xue-Dong JU Xue-Hai MA Xiu-Fang XIAO He-Ming ② 《结构化学》2006,25(8):1004-1010
1 INTRODUCTION Triazole, a five-membered heterocyclic compound with three nitrogen atoms, is an important interme- diate product of medicine and chemical industry as well as insecticide [1]. Due to its small volume and high nitrogenous density, triazole holds more and more attraction for the material researchers, espe- cially the researchers of high-energy insensitive explosive. It is reported that its nitro and amino deri- vatives are a sort of important high-energy mate- rials[2]. Previ… 相似文献
107.
Organic photovoltaic (OPV) cells were fabricated via vacuum vapor deposition with {4-[2-(3-di-cyanomethylidene-5,5-dimethylcyclohexenyl)vinyl]phenyl}di(1-naphthyl)amine (DNP-2CN) as the electron donor, and fullerene (C60) as the electron acceptor. A thin film (10 nm) of tris(8-quinolinolato)aluminum (Alq3) was adopted as the buffer layer. A device based on this DNP-2CN exhibited an open circuit voltage (Voc) of 370 mV, a short-circuit current density (Jsc) of 0.61 mAocm 2, and a white-light power conversion efficiency ( η) of 0.09% (AM1.5, 75 mW.cm^- 2). 相似文献
108.
选用四种不同的密度泛函理论方法(B3LYP,B3P86,BLYP,BP86),在全电子的双ξ加极化加弥散函数基组(DZP )下,对SinH/SinH^-(n=3~8)体系进行研究,获得它们的基态结构和电子亲合能。预测Si3H/Si3H^-,Si4H/Si4H^-,Si5H/Si5H^-,Si6H/Si6H^-,Si7H/Si7H^-和Si8H/Si8H^-的基态结构分别为C2v(^2B2)/C2v(1^A1)氢桥结构,Cs(^2A’)/C(^1A’),C2v(^2B2)/C2v(^1A1),C2v(^2B2或^2B1)/C4v(^1A1),C5v(^2A1)/C5v(^1A1)和C5(^2A‘‘)/C3v(^1A1)。在电子亲合能方面,B3LYP方法预测的电子亲合能是最可靠的,预测Si3H,Si4H,Si5H,Si6H,Si7H和Si8H的电子亲合能分别为2.56,2.59,2.84,2.86,3.19和3.14eV。 相似文献
109.
赖氨酸-Ag反应机理的研究 总被引:5,自引:0,他引:5
The interaction of silver(Ⅰ) ion with lysine has been investigated by UV-Vis, fluorescent spectra and electrophoresis method. The effect of pH medium and multicomponent concentration on interaction of lysine-silver has also been studied. Lysine-silver system showed maximum absorbance at 239 nm and 448 nm. Lysine showed fluorescence. The fluorescence excitation wavelength was about 356.6 nm (fluorescence emission wavelength was about 438.6 nm). When the reaction of silver(Ⅰ) ion with lysine happened, fluorescence was quenching. Lysine-silver system carried negative charge, and the electrokinetic potential of double electrode layer was -2.35×10-4 V. 相似文献
110.
Shu Jun WANG Wen Yuan GAO Jing Lin YU Pei Gen XIAO 《中国化学快报》2006,17(9):1255-1258
Dioscoreae (Chinese name Shanyao), the rhizome of various species of genus Dioscorea opposita Thunb.(Dioscoreaceae), has been used as an important invigorant in traditional Chinese medicine (TCM) for many years1. Starch, the most abundant carbohydrate in … 相似文献