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Chinese Journal of Structural Chemistry 2021年第6期40卷 785-796,685页

作者： zhao su-qin GU Jin-Zhong College of Physics and Electronic Information Engineering Qinghai University for NationalitiesXining 810007China College of Chemistry and Chemical Engineering Lanzhou UniversityLanzhou 730000China

Two coordination polymers,namely[Mn(μ-Hcpia)(bipy)(H_(2)O)_(2)]_(n)(1)and[Cd_(3)(μ3-Hcpia)_(2)(μ-Hbiim)_(2)(μ-H_(2)biim)(H_(2)O)_(2)]n(2),have been constructed hydrothermally using H_(2)cbia(H_(2)cbia=5-(4΄-cyano-benzoxy)isophthalic acid),bipy(bipy=4,4΄-bipyridine),H_(2)biim(H_(2)biim=2,2΄-biimidazole),and manganese or cadmium chlorides at 160℃.Interestingly,the H3cpia(H3cpia=5-(4΄-carboxylphenoxy)isophthalic acid)ligand was generated by in situ hydrolysis of cyano group in H_(2)*** products were isolated as stable crystalline solids and were characterized by IR spectra,elemental analyses,thermogravimetric analyses(TGA),and single-crystal X-ray diffraction *** compounds crystallize in the triclinic system,space group *** 1 discloses a 1D linear chain of the 2C1 topological *** chains are assembled into a 2D supramolecular sheet through O–H∙∙∙O/N hydrogen *** 2 features a 3D framework with a 3,4,4T25 *** luminescent and catalytic properties of two compounds were *** 1 exhibits a superior catalytic activity in the cyanosilylation at room temperature.

关键词： coordination polymer tricarboxylic acid luminescent properties catalytic properties in situ reaction

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Theoretical Studies on Structures and Stabilities of C4H2＋ Isomers

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Chemical Research in Chinese Universities 2013年第1期29卷 150-153页

作者： zhao Ying WAN su-qin LIU Hui-ling HUANG Xu-ri suN Chia-chung State Key Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University Changehun 130021 P. R. China

The structures, energies, stabilities and spectroscopies of doublet C4H2＋ cations were explored at the DFT/B3LYP/6-311G（d,p）, CCSD（T）/6-311＋G（2df2pd）（single-point）, and G3B3 levels. Ten minimum isomers including the chainlike, three-member-ring, and four-member-ring structures are interconverted by means of 15 interconversion transition states. The potential energy surface was investigated. At the CCSD（T）/6-311＋G（2df2pd） and G3B3 levels, the global minimum isomer was found to be a linear HCCCCH. The structures of the stable isomer and its relevant transition state are further optimized at the QCISD/6-311G（d,p） level. The bonding nature and structure of isomer HCCCCH were analyzed.

关键词： C4H2+ Potential energy surface HCCCCH isomer

Effects of photo-oxidation and transition metals on the formation of reactive oxygen species from aromatic compounds using spectroscopic method

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Journal of Environmental Sciences 2025年第5期151卷 1-11页

作者： Xiaoyu Hu Juanjuan qin Yuanyuan qin Tianyi zhao Yuxuan Cao qinghe Cai Lijia Zhang Yang Zhang College of Resources and Environment University of Chinese Academy of SciencesBeijing 101408China Beijing Yanshan Earth Critical Zone National Research Station Beijing 101408China Resource and Environmental Branch China National Institute of StandardizationHaidian DistrictBeijing 100191China Binzhou Institute of Technology Binzhou 256606China

Particulate matter(PM)can cause adverse health effects by overproducing reactive oxygen species(ROS).Although the ability of PM to induce ROS generation depends on its composi-tion and environmental *** study explores how photo-oxidation affects ROS gen-eration from aromatic compounds(ACs,including catechol(CAT),phthalic acid(PA),and 4,4-oxydibenzoic acid(4,4-OBA))and their mixtures with transition metals(TMs,includ-ing Fe(II),Mn(II),and Cu(II))using Fourier-transform infrared(FTIR)and Ultraviolet-visible spectroscopy(UV-Vis).Results showed that photo-oxidation facilitated ROS generation from ***-Fe(II)/Cu(II)showed synergistic effects,but 4,4-OBA-Fe(II)/Cu(II)showed antag-onistic ***-Mn(II)and PA-Fe(II)/Cu(II)exhibited synergistic effects first and then showed antagonistic *** different interactions were due to complexation between ACs and *** photo-oxidized ACs-TMs significantly enhanced ROS generation com-pared with *** study suggested the photo-oxidation mechanism involved that the transfer ofπ-electrons from the ground to an excited state in benzene rings and func-tional groups,leading to the breakage and formation of chemical bonds or easierπ-electron transfer from ACs to *** former could generate ROS directly or produce polymers that promoted ROS generation,while the latter promoted ROS generation by transferringπ-electrons to dissolved oxygen *** study revealed that both interactions among components and photo-oxidation significantly influenced ROS *** studies should integrate broader atmospheric factors and PM components to fully assess oxidative potential and health impacts.

关键词： Reactive oxygen species Aromatic compounds Transitional metals Photo-oxidation

Effect of lanthanum on microstructure of a nickel-based single crystal superalloy

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China Foundry 2025年第1期22卷 55-64页

作者： Hong Gao Kai Guan Ren-jie Cui Jian-chao qin Zi-han zhao zhao-hui Huang Science and Technology on Advanced High Temperature Structural Materials Laboratory Beijing Institute of Aeronautical MaterialsBeijing 100095China

To enhance the high-temperature oxidation resistance and mechanical properties of a secondgeneration nickel-based superalloy,various concentrations of lanthanum(La)ranging from 5.0×10^(-5)wt.%to 3.4×10^(-4)wt.%are added to the *** microstructure of the nickel-based single crystal superalloy with trace of La was examined by means of SEM,EDS and *** show the addition of La decreases the segregation of elements and increases the amount ofγ/γ′eutectics of the as-cast alloy,and in the interdendritic region,the growth of eutectics is accompanied by the growth of strip clusters composed of Ni_(5)La and Ni_(3)*** the La content in the alloy increases,the proportion of Ni_(5)La in the cluster *** heat treatment,incipient melting occurs in the cluster regions,leading to an increase in microporosity compared to the original as-cast ***,the heat treatment alters the shape of the clusters from a strip morphology to an elliptical one,and it changes their composition from Ni_(5)La and Ni_(3)Ta to a combination of Ni_(5)La,Ni_(3)Ta,and MC carbides.

关键词： single crystal superalloy lanthanum microstructure heat-treatment precipitate phase

配位聚合物[Fe(HL)(H_2O)]_n的合成、晶体结构及磁性质（英文）

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无机化学学报 2016年第5期32卷 853-858页

作者：赵素琴顾金忠青海民族大学物理与电子信息工程学院西宁810007 兰州大学化学化工学院兰州730000

通过水热方法,采用H_3L(H_3L=2-(4-carboxypyridin-3-yl)terephthalic acid)与FeSO_4·7H_2O反应,合成了一个具有二维结构的配位聚合物[Fe(HL)(H_2O)]_n(1),并对其结构和磁性质进行了研究。结构分析结果表明该聚合物的晶体属于正交晶系,Pnna空间群,a=1.454 65(11)nm,b=2.474 23(15)nm,c=0.735 65(4)nm,V=2.647 7(3)nm^3,Dc=1.802 g·cm^(-3),Z=8,R=0.046 8,wR=0.125 6(I>2σ(I))。HL2-配体交替连接相邻的铁(Ⅱ)离子形成了一维链结构单元,这些链又通过配体与铁(Ⅱ)离子的配位作用形成了二维层。最后这些层通过氢键作用形成了一个复杂的三维超分子框架。拓扑分析表明,配合物1具有一个双节4,4-连接的拓扑网络结构,其拓扑符号为(43.62.8)。研究表明,该聚合物中相邻铁(Ⅱ)离子之间存在反铁磁相互作用。

关键词：配位聚合物铁(Ⅱ)配合物磁性

基于原位配体反应的锰(Ⅱ)配位聚合物的合成、结构和催化性质

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无机化学学报 2021年第4期37卷 751-757页

作者：赵素琴顾金忠青海民族大学物理与电子信息工程学院西宁810007 兰州大学化学化工学院兰州730000

采用水热方法,选用含2个氰基的醚氧桥联羧酸配体(Hdbna)和2,2′-联吡啶(2,2′-bipy)与MnCl2·4H2O反应,合成了一个二维配位聚合物[Mn(μ3-Hdpna)(2,2′-bipy)]n (1),并对其结构和催化性质进行了研究。在配合物1中,配体Hdbna在水热反应... 详细信息

采用水热方法,选用含2个氰基的醚氧桥联羧酸配体(Hdbna)和2,2′-联吡啶(2,2′-bipy)与MnCl2·4H2O反应,合成了一个二维配位聚合物[Mn(μ3-Hdpna)(2,2′-bipy)]n (1),并对其结构和催化性质进行了研究。在配合物1中,配体Hdbna在水热反应条件下,通过原位反应被转化成醚氧桥联三羧酸配体(H3dpna)。结构分析结果表明配合物1的晶体属于三斜晶系,P■空间群。配合物1具有二维层结构。研究表明,配合物1在硅腈化反应中表现出较高的催化活性。

关键词：配位聚合物醚氧桥联三羧酸催化性质原位反应

基于2,4,4′-联苯三羧酸及菲咯啉的锰(Ⅱ)和镍(Ⅱ)双核配合物的合成、晶体结构及磁性质（英文）

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无机化学学报 2016年第9期32卷 1611-1618页

作者：赵素琴顾金忠青海民族大学物理与电子信息工程学院西宁810007 兰州大学化学化工学院兰州730000

通过水热方法,用2,4,4′-联苯三羧酸(H3btc)和菲咯啉(phen)分别与Mn Cl2·4H2O和Ni Cl2·6H2O反应,合成了2个具有双核结构的配合物[Mn2(Hbtc)2(phen)4]·5H2O(1)和[Ni2(Hbtc)2(phen)4]·2H3btc·4H2O(2),并对其结构和磁性质进行了研究。结构分析结果表明2个配合物的晶体都属于三斜晶系,P1空间群。配合物1和2均为双核结构,通过分子间的O-H…O氢键作用,双核的分子被进一步连接成了三维超分子框架。研究表明,双核分子中相邻金属离子间存在反铁磁相互作用。

关键词：配位化合物锰配合物镍配合物磁性

两个二苯醚四羧酸-钴(Ⅱ)配位聚合物的合成、结构和催化性质

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无机化学学报 2022年第1期38卷 161-170页

作者：赵素琴顾金忠青海民族大学物理与电子信息工程学院西宁810007 兰州大学化学化工学院兰州730000

采用水热方法,选用2,3,3',4'⁃二苯醚四羧酸(H_(4)deta)和2,2'⁃联咪唑(H_(2)biim)、菲咯啉(phen)分别与CoCl_(2)·6H_(2)O在160℃下反应,得到了具有一维链结构([Co_(2)(μ_(3)⁃deta)(H_(2)biim)_(3)(H_(2)O)_(2)]_(n),1)和二维网络结构({[Co_(2)(μ_(6)⁃deta)(phen)_(2)]·H_(2)O}_(n),2)的配位聚合物,并对其结构和催化性质进行了研究。研究表明,在室温下配合物1在Knoevenagel缩合反应中显示出很好的催化活性。

关键词：配位聚合物四羧酸催化性质 Knoevenagel缩合反应

Effect of pouring time on microstructure and mechanical properties of centrifugal cast Ti-46Al alloy tubes

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China Foundry 2025年第1期22卷 65-74页

作者： Gang Huang Qian Dang Cong-cong su Jing zhao Chi Zhang Guo-huai Liu zhao-dong Wang The State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang 110819China School of Materials Science and Engineering Shenyang University of TechnologyShenyang 110870China

The grain size of TiAl alloy castings prepared by traditional casting process is coarse,thus showing poor mechanical *** this study,a new type of high performance Ti-46Al alloy tube prepared by vacuum centrifugal casting technology was *** research comprehensively examined the influence of pouring time on the microstructure and mechanical performance of the castings,employing both experimental approaches and ProCast simulation *** findings indicate that prolonging the pouring time facilitates a microstructural evolution from coarse columnar grains to refined equiaxed *** the condition of pouring temperature of 1,600℃,rotation speed of 800 r·min^(-1) and pouring time of 6 s,the tensile strength of Ti-46Al alloy at room temperature reaches 650 MPa,and the tensile strength at 800℃ reaches 705 MPa,which is significantly higher than that of traditional as-cast Ti-Al alloy.

关键词： vacuum induction melting centrifugal casting Ti-46Al alloy pouring time Ti-Al alloy tubes

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Evaluation of detonation performance of explosives ICM-101, ONC,and TNAZ based on improved VHL equation of state

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Defence Technology 2025年第2期44卷 83-97页

作者： Yong Han qin Liu Yingliang Duan Yaqi zhao Xinping Long Institute of Chemical Materials China Academy of Engineering Physics China Academy of Engineering Physics

Detonation performance is crucial for evaluating the power of high explosives(HEs), and the equation of state(EOS) that accurately describes the high-temperature, high-pressure, and high-temperature, medium-pressure states of detonation products is key to assessing the damage efficiency of these energetic materials. This article examines the limitations of the VLW EOS in representing the thermodynamic states of explosive detonation gas products under high-temperature and medium-to high-pressure conditions. A new gas EOS for detonation products, called VHL(Virial-Han-Long), is proposed. The accuracy of VHL in describing gas states under high-temperature and medium-to high-pressure conditions is verified, and its performance in evaluating explosive detonation and working capabilities is *** results demonstrate that VHL exhibits high precision in calculating detonation performance. subsequently, the detonation performance of three new HEs(ICM-101, ONC, and TNAZ) was calculated and compared to traditional HEs(TATB, CL-20, and HMX). The results indicate that ONC has superior detonation performance compared to the other explosives, while ICM-101 shows a detonation velocity similar to CL-20 but with slightly lower detonation pressure. The detonation characteristics of TNAZ are comparable to those of the standard HE HMX. From the perspective of products, considering the comprehensive work performance(mechanical work and detonation heat), both ONC and ICM-101demonstrate relatively superior performance.

关键词： Equation of state Detonation performance Working capability Thermodynamics High explosive