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Guizhou, China

Jing T.,Shandong University | Jing T.,Kaili University | Dai Y.,Shandong University | Wei W.,Shandong University | And 2 more authors.
Physical Chemistry Chemical Physics | Year: 2014

The electronic structure and related photocatalytic properties of Bi 2MO6 (M = W, Mo) with various intrinsic defects are studied based on the first-principles density functional theory (DFT). Our results indicate that O vacancies form easily in both Bi2WO 6 and Bi2MoO6 under Bi rich/O poor conditions. The near-infrared light transitions can be realized involving electrons from the O vacancy induced impurity states within the band gap to the conduction band. Rather than acting as photogenerated carrier recombination centers, the impurity states caused by O vacancies favor the transfer of photogenerated holes and further benefit the photocatalytic process due to the delocalized nature. The spatial separation of photogenerated carriers among different layers can be realized, which reduces the carrier recombination and improves the photocatalytic activity. In addition, Bi2WO6 with O vacancies is desirable for having better near-infrared photocatalytic performance than Bi2MoO6 due to the larger mobility of photogenerated holes. © the Partner Organisations 2014. Source


Wang X.,Guizhou University | Wang X.,Kaili University | Yin J.,Guizhou University | Shi L.,Guizhou University | And 2 more authors.
European Journal of Medicinal Chemistry | Year: 2014

Novel imine derivatives of quinazolin-4(3H)-one were designed and synthesized by using aminoethyl moieties to increase the amine bridge of quinazolin-4(3H)-one amine and then introducing various aromatic aldehydes. The target compounds were characterized by proton nuclear magnetic resonance spectroscopy (1H NMR), carbon nuclear magnetic resonance spectroscopy (13C NMR), mass spectrometry (MS), infrared spectroscopy (IR), elemental analysis, and X-ray diffraction crystallography. Bioassay results indicated that some of the compounds showed good to excellent antibacterial activities against tobacco bacterial wilt and tomato bacterial wilt. The 50% effective concentrations (EC50) of the compounds against tobacco and tomato bacterial wilts ranged from 63.73 μg/mL to 201.52 μg/mL and 38.64 μg/mL to 81.39 μg/mL, respectively, which are lower than that the positive control thiodiazole copper (216.70 and 99.80 μg/mL). These results indicated that novel Schiff base derivatives containing the 4(3H)-quinazolinone moiety can effectively control tobacco and tomato bacterial wilts. Source


Zhou Z.,Nanjing Forestry University | Zhou Z.,Kaili University | Lin Z.,Nanjing Forestry University
Molecules | Year: 2012

The 7-C 60-adduct of N,N-(tetrachlorophthaloyl) dehydroabietylamine was synthesized for the first time and characterized by IR, UV-vis, mass and NMR spectral studies. The 1H-NMR and 13C-NMR resonance signals of the new compound are unambiguously assigned by using homo- and heteronuclear 2D NMR spectroscopic techniques such as COSY, ROESY, HSQC and HMBC. The C 1 symmetric structure with 6,6-junction of compound was determined. © 2012 by the authors. Source


Yin H.-F.,Sichuan University | Yin H.-F.,Kaili University | Zhang H.,Sichuan University
International Journal of Quantum Chemistry | Year: 2012

The collectivity of the electronic motion in small sodium clusters with ring structure is studied by time-dependent density functional theory. The formation and development of collective resonances in the absorption spectra were obtained as a function of the ring radius. In small ring clusters, besides the lower-energy mode and the higher-energy mode, there is another plasmon resonance mode, that is, the reverse two-dipole mode. For the reverse two-dipole mode, the formations of these two dipoles are due to the external field inducement and the shielding effect, although the resonant excitation is mainly due to the coupling effect of the electrons of these two dipoles. © 2012 Wiley Periodicals, Inc. Copyright © 2011 Wiley Periodicals, Inc. Source


Yin H.-F.,Sichuan University | Yin H.-F.,Kaili University | Zhang H.,Sichuan University
Physica B: Condensed Matter | Year: 2012

The collectivity of the electronic motion in small sodium clusters with planar structure is studied by the time-dependent density functional theory (TDDFT). The formation and development of collective resonances in the absorption spectra were obtained as the function of the size and shape of the plane. We find the symmetry plays an important role in the collective excitation. Resonance peaks increase with the reduction of the symmetries and, on the contrary, resonance peaks decrease with the increase of the symmetries. In the planar cluster, there are two main excitation modes: the higher-energy mode and the competitive mode, which is due to the coupling and competition of the quasi-lower-energy effect and the quasi-higher-energy effect. With the increase of the interatomic distance, peaks of the absorption spectra are all red-shifted and the evolutionary trend is also discussed. © 2011 Elsevier B.V. All rights reserved. Source

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