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Jian F.F.,Microscale Science Institute | Jian F.F.,Qingdao University of Science and Technology | Wang X.,Qingdao University of Science and Technology | Wang J.,Qingdao University of Science and Technology | Xiao H.,Qingdao University of Science and Technology
Journal of Cluster Science

In this paper, the Mo-V Keggin compound 1, KNa6[VMo12O40]2(OH)(H2O)36, had obtained. Single crystal X-ray analysis revealed that there is the nanometer-sized water cube, Na6(KOH)(H2O)36, in [VMo12O40]3- Keggin structure. The Na6(KOH)(H2O)36 forms one cuboid house with long side of 22.456 Å and short side of 11.228 Å. The cation water cube acts as a "host" and the globular anion [VMo12O40]3- as "guest" which was captured. The cycle voltammetry study showed that above compound had excellent electrocatalytic activity toward the reduction of bromate. Thermogravimetric analysis was in agreement with the crystal data. © Springer Science+Business Media, LLC 2010. Source

Wang J.,Qingdao University of Science and Technology | Jian F.,Qingdao University of Science and Technology | Huang B.,Microscale Science Institute | Bai Z.,Qingdao University of Science and Technology
Journal of Solid State Chemistry

The syntheses and structures of two ethyl mercaptan molecular wheels complexes, [M(μ2-SCH2CH3)2]6 (M=Fe, Co), have been reported. Each metal atom is surrounded by four S atoms of the μ2-SCH2CH3 ligands in a distorted square plane fashion. The edge-sharing S4 square planes connect with each other to form a ring. Six metal atoms are located at the vertices of an almost hexagon, with M...M separations in the range of 2.903(1)~2.936(2) Å for Fe and 2.889(2)~2.962(2) Å for Co. The diameter of the ring, defined as the average distance between two opposing metal atoms, is 5.850(1) Å for Fe and 5.780(1) Å for Co, respectively. The magnetic property behaves of cobalt(II) cluster complex is studied. © 2013 Elsevier Inc. Source

Guo H.-M.,Microscale Science Institute | Zhao P.-S.,Huaiyin Normal University | Wu Q.,Microscale Science Institute | Li Y.-F.,Microscale Science Institute

1-Phenyl-3-(4-nitrophenyl)-5-(2-thienyl)-2-pyrazoline was synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. UV-Vis spectra and fluorescence spectra were measured. Density functional theory calculations on the structure of the title compound were performed at the B3LYP/6-311Glevel of theory. NPA atomic charge distributions indicate that, although the S atom in the thienyl ring loses coordination capacity, the title compound still may be used as a potential multi-dentate ligand to coordinate with metallic ions. The calculation of the second order optical nonlinearity was carried out. Natural bond orbital analyses indicate that the electronic absorption bands are mainly derived from the contribution of n ? pand p ? ptransitions. Fluorescence spectra determination shows that the title compound is a potential orange-light emitting material. © 2014 by the authors; licensee MDPI, Basel, Switzerland. Source

Guo H.,Microscale Science Institute | Wu Q.,Microscale Science Institute | Li Y.,Microscale Science Institute
Chemistry Bulletin / Huaxue Tongbao

The result of X-ray single crystal diffraction indicated that the crystal structure of as-synthesized 6-chloro-N, N-dimethylpyrimidin-4-amine belongs to orthorhombic crystal system, Pbca space group with the unit cell parameters of a = 10.922(2) Å, b = 7.386 (3) Å and c = 17.861 (6) Å. There are two types of potential weak intermolecular interactions of C-H…N and C-H…Cl in its crystal lattices, which make the formation of 2-D networks and help to stabilize the molecular structure. Copyright © 2014. Source

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