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solid state synthesis and Crystal Structure of K_3SI

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Chinese Journal of Structural Chemistry 2006年第2期25卷 159-162页

作者： ZHAO Zhen-Qian LIU Xi CHEN Wen-Tong LI Yan WUA-Qing ZENG Hui-Yi GUO Guo-Cong HUANG Jin-Shun state Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter The Chinese Academy of Sciences Fuzhou Fujian 350002 China Graduate School of the Chinese Academy of Sciences Beijing 100039 China

A new ternary alkali metal chalcogenide halide, K3SI, has been synthesized by solid state reaction method and structurally characterized by X-ray crystallography. The crystal belongs to hexagonal, space group P63cm with a = 11.699（I ）, c = 5.8279（9） A°, Mr = 276.26, V = 690.8（1 ）A°^ 3, Z = 6, D, = 3.985 g/cm^3, F（000） = 756, μ = 9.913 mm^-1, S = 1.004, R = 0.0719 and wR = 0.2204. The title compound is the first example containing S anion in the ternary alkali metal chalcogenide halides family M3QX （M = alkali metal, Q = chalcogenide, X - halide）, which crystallizes in the hexagonal anti-perovskite structure type.

关键词： crystal structure solid state synthesis ternary alkali metal chalcogenide halide

solid state synthesis and structure of two novel polyoxometalates [(n-Bu)_4N]_4[M_6o_(19)][Ag_21_4](M=Mo,W)

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Chinese Journal of Chemistry 1996年第2期14卷 123-130页

作者： HOU,Hong-Wei XIN,Xin-Quanstate Key Laboratory of Coordination Chemistry,Department of Chemistry,Nanjing University,Nanjing,Jiangsu 210093,ChinaYU,Kai-BeiChengdu Center of Analysis and Determination,Chinese Academy of Sciences,Chengdu,Sic/man 610041,ChinaWANG,Zhe-Min LIU,Shi-Xiong HUANG,Jin-LingDepartment of Chemistry,Fuzhou University,Fuihou,Fujian 350002,China state Key Laboratory of Coordination Chemistry Department of Chemistry Nanjing University Nanjing Jiangsu 210093 China Chengdu Center of Analysis and Determination Chinese Academy of Sciences Chengdu Sichuan 610041 China Department of Chemistry Fuzhou University Fuzhou Fujian 350002 China

The reaction of [NH4]2[MO2S2],AgI and (n-Bu)4NBr in solid state produced the polyoxometalates [(n-Bu)4N]4[M6O19][Ag2l4] (1,M=Mo;2,M=W) which were structurally *** crystals of 1 and 2 are isomorphous,monoclinic,space group P221/c.1,a=1.6624(2),6=1.6699(3),c=1.7217(2) nm,(8=98.29(1)°,V =4.729(1) nm3,Z=2,R=0.040,Rw=0.037;2,a= 1.6636(3),6=1.6733(3),c=1.7190(3) nm,β=98.25(1)°,V=4.736(1) nm3,Z=2,R=0.038,Rw=*** results of the structure determination showed that the two compounds had the same structures whose skeletons are composed of [Ag2I4]2-and [M6O19]2-The difference of them and heteropolymetalate compounds synthesized in solution is that the title compounds contain cluster ion,heteropolymetalate and organic cations,while the latter is only composed of heteropolymetalate and organic cations.

关键词： solid state synthesis coordination compound structure

Density Functional Theory and Electrochemistry Studies on LiFexMn1-xPO4 solid Solutions

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Chinese Journal of Chemical Physics 2019年第6期32卷 687-692,I0002,I0013-I0015页

作者： Kang-ping Wang Tao-tao Shen Dong-ming Chen Wen-lou Wang Department of Chemical Physics University of Science and Technology of ChinaHefei 230026China Nano Science and Technology Institute University of Science and Technology of ChinaSuzhou 215123China .Collaborative Innovation Center of Suzhou Nano Science and Technology Suzhou 215123China National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China

The thermodynamic stability and lithiated/delithiated potentials of LiFexMn1-xPO4 were studied with density functional theorical calculations. The results show that the formation free energy of the LiFexMn1-xPO4 solid solution is slightly higher than that of the phase-separated mixture of LiFePO4 and LiMnPO4, and the two forms may co-exist in the actual LiFexMn1-xPO4 materials. The calculation manifests that the lithiated/delithiated potentials of LiFexMn1-xPO4 solid solutions vary via the Mn/Fe ratio and the spatial arrangements of the transition metal ions, and the result is used to explain the shape of capacity-voltage curves. Experimentally, we have synthesized the LiFexMn1-xPO4 materials by solid-phase reaction method. The existence of the LiFexMn1-xPO4 solid solution is thought to be responsible for the appearance of additional capacity-voltage plateau observed in the experiment.

关键词： LiFexMn1-xPO4 solid solution solid state synthesis Density functional theory calculation Electrochemical performance

Structure and spectral measurements of a new rubidium europium polyphosphate

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Rare Metals 2015年第12期34卷 877-881页

作者： Jing Zhu Hui Chen Yan Zheng Hui-Lan Kong Wen-Dan Cheng Yu-De Wang Hong-Tao Guan Zhong-Qi Zhu Department of Material Science and Engineering Yunnan University state Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences

A new rubidium europium polyphosphate, RbEu(PO3)4, was synthesized by the high-temperature solution reaction and studied by single-crystal X-ray diffraction (XRD) technique. RbEu(PO3)4 belongs to the monoclinic space group P21/n (Z=4) and characterizes a three-dimensional framework made up from double PO4 spiral chains, RbO11, and EuO8 polyhedra. The absorption spectrum indicates that the compound has no absorption above 320nm with insulator characteristic. In addition, the infrared spectroscopy was carried out.

关键词： Inorganic compound solid state synthesis Polyphosphate Crystal structure

Dynamic recrystallization behavior and mechanical properties of bimodal scale Al2O3 reinforced AZ31 composites by soild state synthesis

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Journal of Magnesium and Alloys 2020年第3期8卷 841-848页

作者： Maoliang Hu Shuaihu Wei Qian Shi Zesheng Ji Hongyu Xu Ye Wang School of Materials Science and Engineering Harbin University of Science and TechnlolgyHarbin 150040China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin 150000China

In this paper,(500 nm 1%+5μm 3%)bimodal scale Al2O3p/AZ31 composites was fabricated by solid state synthesis and the effect of bimodal scale Al2O3 particulates on its dynamic recrystallization behavior and mechanical properties was *** optical microscopy,scanning electron microscopy,transmission electron microscopy and electron universal strength tester composites were used to characterize the *** results indicate that the grains size of the composites are significantly refined and the mechanical properties are obviously *** to the presence of the bimodal scale Al2o3 particulates,the high-density dislocation zone is formed around nano-Al2o3p and the particle deformation zone is formed near *** zones are ideal sites for the formation of recrystallization ***,the addition of the bimodal scale Al2o3 particulates may delay or hinder the growth of matrix grain through the pining effect on the grain boundaries,resulting in significantly improving the yield strength and tensile strength of Al2O3p/AZ31 composites.

关键词： AZ31 magnesium alloy solid state synthesis Dynamic recrystallization behavior Mechanical property Al2O3 particulate.

Molten Salt synthesis, Crystal Structure and Optical Properties of a Novel Quaternary Metal Selenide, K_2AgIn_3Se_6

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Chinese Journal of Chemistry 2004年第3期22卷 259-263页

作者：郭洪猷王志霞舒桂明王如骥张丽丹王平 Department of Chemistry Beijing University of Chemical Technology Beijing 100029 China Department of Geology Peking University Beijing 100871 China Department of Chemistry Tsinghua University Beijing 100083 China

K2AgIn3Se6 was synthesized by a molten-salt (alkali-metal polyselenide flux) reaction at 500 ℃. The orange red granular crystal crystallizes in monoclinic space group C2/c with cell parameters, a=1.16411(7) nm, b=1.16348(8) nm, c=2.14179(12) nm, V=2.8740(9) nm3, and Z=8. The crystal has a new two-dimensional structure containing 2∞[AgIn3Se6]2- anionic layers separated by K+ cations and the 2∞[AgIn3Se6]2- layer is constructed with corner-shared [AgSe4] and [InSe4] tetrahedra. The optical band gap of K2AgIn3Se6 was determined to be ca. 2.9 eV by UV/vis/NIR diffuse reflectance spectra.

关键词： potassium silver indium selenide K2AgIn3Se6 solid state synthesis crystal structure

Microwave assisted synthesis and in silico screening of steroidal pyrazolines

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Chinese Chemical Letters 2012年第9期23卷 1039-1042页

作者： Mahboob Alam Shahab A.A.Nami M.Parveen Dong-Ung Lee Soonheum Park Division of Bioscience Dongguk UniversityGyeongju 780-714Republic of Korea Department of Chemistry Aligarh Muslim UniversityAligarh 202002India Department of Chemistry Dongguk UniversityGyeongju 780-714Republic of Korea Department of Kulliyat Faculty of Unani MedicineAligarh Muslim UniversityAligarh 202002India

The present manuscript describes solid-state synthesis of some reported steroidal pyrazolines by a novel eco-friendly route. The synthesized pyrazolines were compared with those obtained from conventional methods in terms of reaction time and overall yield. A substantial enhancement in reaction rate and yield was observed. The antimicrobial activity and the subsequent molecular docking studies of the steroidal pyrazolines have also been carried out.

关键词： solid state synthesis Pyrazolines In silico study Antimicrobial study

synthesis of Novel Quaternary Selenide K_2CdSnSe_4

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Chemical Research in Chinese Universities 2010年第4期26卷 514-516页

作者： ZHANG Li-dan HAN Chun-ying FENG Xiu-ling WEI Yong-ge GUO Hong-you College of Sciences Beoing University of Chemical Technology Beijing 100029 P. R. China Department of Chemistry Huaihua Institute Huaihua 418008 P. R. China College of Chemistry and Molecular Engineering Peking University Beoing 100871 P. R. China

A novel quaternary metal selenide, K2CdSnSe4, was synthesized via a molten-salt reaction at 550 ℃. The compound has a one-dimensional structure containing a chain of ∞^1[CdSnSe4]^2- anions separated by K^＋ cations. The crystal belongs to the space group I-4^-2m, with the unit cell parameters a=0.80298（11） nm, b=0.80298（11） nm, c=0.69217（14） nm, α=β=γ=90°. A reflectance spectroscopy study reveals the nature of the semiconductor with an energy gap of 1.7 eV for the compound and it has a strong optical absorotion in a range of 2--5 eV.

关键词： Quatemary metal selenide solid state synthesis Crystal structure

synthesis and Crystal Structure of Er_2Si_2O_7

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Chinese Journal of Structural Chemistry 1998年第1期17卷 24-26页

作者： CHI Li-Sheng CHEN Hua-Yang ZHUANG Hong-Hui HUANG Jin-Shun(state Key Laboratory of Structural Chemistry, Fujian institute of Research onthe Structure of Matter, the Chinese Academy Of Sciences, Fujian Fuzhou 350002) state Key Lab. of Struct. Chemistry Fujian Inst. Res. Struct. of Matter Chinese Academy of Sciences Fujian Fuzhou 350002 China

The title compound crystallizes in monoclinic system, space group C2/m with cell dimensions of a=6. 843(2), b=8. 939(2), c=4. 720(1) A, β=101. 77(2), V=282. 7A3, Z=2, Mr=502. 69, Dc=5' 91 g·cm-3, u(MoKa)=303. 0cm-1, F(000) ~ 440. The structure solution and refinement are based on 869 uniqueobserved reflections with I≥3(I) and the final discrepancy factors converged at R=0. 034, Rw= 0. 042. The structure is considered to be the oxygen atoms packed innearly hexagonal arrangement with rare earth atoms in the octahedral and silicon atomsin tetrahedral holes in alternately parallel layers.

关键词： solid state synthesis crystal structure thortveitite