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	1. Preparation and photocatalytic properties of ZnTiO3 powders
	Yuan Peihong,Fan Caimei,Wang Yan,Ding Guangyue
	Chemistry 17 December 2010
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	Abstract:ZnTiO3 powders with pure hexagonal phase were synthesized by the sol-gel process using tetrabutyl titanate and zinc acetate as raw material. The composites were characterized by thermogravimetric and differential thermal analysis (TG-DTA), X-ray diffraction (XRD) patterns, scanning electron microscope (SEM), energy dispersive spectrometer (EDS), X-ray photoelectron spectra (XPS). The relationship between the physicochemical property and photocatalytic activity was investigated, too. It is found that the photocatalytic activity is dependent on the phase of ZnTiO3. The product of ZnTiO3 with pure hexagonal-phase calcined at 800℃ for 2h exhibits the maximum photocatalytic activity in the photochemical degradation of humic acid under solar light irradiation. The processing parameters such as the dosage of catalysts and the light source also play an important role in tuning the photocatalytic activity. Under solar light irradiation, the humic acid of photocatalytic degradation was 100% after photocatalytic reaction continued for 1.5h with the dosage of photocatalysts was 0.8g/L.
	TO cite this article:Yuan Peihong,Fan Caimei,Wang Yan, et al. Preparation and photocatalytic properties of ZnTiO3 powders[OL].[17 December 2010] http://en.paper.edu.cn/en_releasepaper/content/4398627


	2. Synthesis, Characterization and Analysis of Two Kinds of Electron Transporting Materials
	Jin Biao,Kang Feng
	Chemistry 31 March 2010
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	Abstract:Two kinds of electron transporting materials, 2,5-Di-p-tolyl-1,3,4-oxadiazole (1) was synthesized through condensation reaction and characterized by UV-vis, FT-IR, 1H-NMR and X-ray single-crystal determination, and 2,5-Di-p-vinylbenzene-1,3,4-oxadiazole (4) was synthesized through Wittig reaction and characterized via UV-vis, 1H-NMR and 13 C-NMR spectroscopy. The comparisons of the two compounds’ CV spectra show that the incorporation of vinyl units of compound (4) brings about particular electronic effects on electrochemical properties of molecule. The geometric and electronic structures of the two materials were optimized and their electronic absorption spectrums were calculated by Gaussian 03 software packet. The results show that compound (4) has lower LUMO energy level and is the better electron transporting material, and compound (1) has higher energy gap and is the better hole blocking material. We simulated their Uv-vis spectrums and found that the red-shift trends were almost in accordance with the experimental spectrum. Compared with compound (1), compound (4) has a red-shift which was mainly attributed to more intra-molecular charge transfer and lower energy gap. Molecular orbital coefficients analyses show that the absorption maximum corresponds to the π-π* transition.
	TO cite this article:Jin Biao,Kang Feng. Synthesis, Characterization and Analysis of Two Kinds of Electron Transporting Materials[OL].[31 March 2010] http://en.paper.edu.cn/en_releasepaper/content/41388


	3. Optimization of Soxhlet extraction of capsaicinoids
	Shiqiang Yan,Xiaofeng Xu,Yonghong Zhou
	Chemistry 02 March 2009
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	Abstract:Soxhlet extraction of hot pepper through an orthogonal experiment (L9(34)) with both recovery of capsaicinoids and time interval as indexes were investigated to get the best extraction conditions. Integrated Balance Method was used to select the condition for conformation experiment, and two groups of conditions were chosen : A3B3C2D1 and A3B3C2D3，number as 1 and 2 respectively. Result showed that experiment 2 has a little lower recovery of capsaicinoids, but it used a shorter time. In order to improve recovery of capsaicinoids of experiment 2, extraction cycle was increased to 20 times. The recovery of capsaicinoids is close to experiment 1. The total time used is 140 min which is shorter than experiment 1. Finally, the best conditions were selected: extraction cycle, extraction temperature, volume of solvent(95％ethanol) and weight of hot pepper were 20, 140℃and 130 mL and 20g respectively. It showed that Soxhlet extraction was an efficient, economical, and easy method for extraction of capsaicinoids.
	TO cite this article:Shiqiang Yan,Xiaofeng Xu,Yonghong Zhou. Optimization of Soxhlet extraction of capsaicinoids[OL].[ 2 March 2009] http://en.paper.edu.cn/en_releasepaper/content/29790


	4. Theoretical study of the interaction between CFCl3 and SO2
	FangWang
	Chemistry 07 January 2009
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	Abstract:Ab initio calculations have been performed on a complex of CFCl3 with SO2. Ten stable configurations are found with no imaginary frequencies using the Møller–Plesset second-order perturbation (MP2) method. In the seven configurations, CFCl3 with SO2 connect by three non-covalent bonds, such as Cl•••O, F•••O, Cl•••S or F•••S, in the one configuration, they connect by two Cl•••S non-covalent bonds, and the other two configurations contain only one non-covalent bond. The NBO analysis has revealed that the n(Cl) → σ*(S–O) interaction gives the strongest stabilization to these complexes and the charge transfer is not main factor in the weak intermolecular interactions in these complexes. The atoms in molecules theory (AIM) has been used to analyze the nature of the interaction. The results of theoretical calculation indicate that there is the weak interaction between CFCl3 and SO2 compounds as well as Cl•••O and Cl•••S interactions occupy bigger proportion for the system. The interactions seem to be very significant as a driving force influencing the arrangement of molecules.
	TO cite this article:Fa

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