ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
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2021
·Vol. 647
·期 6
·681-685
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IF 1.492
Xieyang Wang,Zhen Dong,Rui Yang,Shengren Zhou,Zhiwen Ye
Two energetic salts of cyclo-N 5 − , O-methylisoure pentazolate ( 1 ) and guanidinoacetic acid pentazolate ( 2 ), were synthesized by metathesis reaction. All the energetic cyclo-N 5 − salts were characterized by single-crystal XRD, IR spectroscopy, 1 H and 13 C multinuclear NMR spectroscopy, thermal analysis (DSC) and elemental analysis. They exhibit good thermal stability with decomposition temperatures of more than 100 °C and they are in excellent agreement with those reported non-metallic salts. Salt 1 also exhibits strong π-π interactions. The standard enthalpies of formation and detonation performances of these salts were calculated using Gaussian 09 and EXPLO5 v6.01 programs. The detonation velocities of compound 1 and 2 are both about 7400 m s −1 and these two salts exhibit low mechanical sensitivity (IS>23 J, FS>220 N). Therefore, in this work, the synthesis of the new pentazolate salts enriches the cyclo-pentazolate salts system, which is conducive to the exploration of more heat-resistant and higher detonation velocities pentazolate salts.
研究领域:
无机化学
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含能材料
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热分析
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结构化学
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DOI
高影响因子
ANALYTICA CHIMICA ACTA
·
2014
·
IF 4.517
Shan Liu,Maochao Wei,Xiangli Zheng,Shuai Xu,Changli Zhou
We are just beginning to exploit the fascinating potential of thionine , called electrochemical probe that can selectively recognize specific polycyclic aromatic hydrocarbons (PAHs), as tools for the detection of tricyclic aromatic hydrocarbons phenanthrene (PHE) and anthracene (ANT). A novel electrochemical sensing platform by modification of electroactive thionine functionalized graphene onto glass carbon electrode (Th/GRs/GCE) surface was constructed. The immobilized thionine showed a remarkable stability, which may benefit from the π–π stacking force with graphene. Under optimum conditions, the proposed electrochemical sensor exhibited high sensitivity and low detection limit for detecting PHE and ANT. The total amount of PHE and ANT could be quantified in a wide range of 10 pM–0.1 μM with a good linearity ( R 2 = 0.9979) and a low detection limit of 0.1 pM ( S / N = 3). Compounds which possess one or two benzene rings or PAHs with more than three rings, such as benzene, naphthalene (NAP), benzo[a]pyrene (BaP) and pyrene (PYR) show little interference on the detection. Consequently, a simple and sensitive electrochemical method was proposed for the determination of PHE and ANT, which was used to determine PHE and ANT in waste water samples. The electrochemical method provides a general tool that complements the commonly used spectroscopic methods and immune method for the detection of PAHs.
研究领域:
分析化学
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环境监测
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电化学传感器
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分子识别
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污染物检测
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DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2018
·
IF 6.735
Wei Teng,Nan Bai,Zehan Chen,Junming Shi,Jianwei Fan,Wei-xian Zhang
Porous carbon is the most important and most common adsorbent for the separation and treatment of organic pollutants. Characteristics such as accessible and large surface area, physical and chemical stability, and low-cost manufacturing method are desired for any adsorbent. Herein, a hierarchically porous carbon (HPC) was prepared by pyrolysis and graphitization of crystalline metal–organic frameworks (MOF-5) for enhanced adsorption of aromatic contaminants. The material treated at high temperature (950 °C) possesses large surface area (1512 m 2 /g), high porosity (0.94 cm 3 /g), and hierarchically porous structures. The generated mesopores around 4 nm improve the interconnectivity of micro- and macropores to make the porous material ideal for sorption of organic pollutants such as aromatic hydrocarbons. Effects of adsorbent dose, pH, ionic strength, contact time, and initial concentration on the adsorption of p -nitrophenol (PNP, as a model) were investigated. Adsorption isotherms and kinetics suggest that the adsorption is a spontaneous and endothermic physisorption process with monolayer surface coverage. The surface sites are electron-rich due to the graphitic layer, which has high affinity toward π electrons of the aromatic ring. The adsorption capacity of the hierarchically porous carbon (HPC) is nearly over 100% higher that of conventional activated carbon.
研究领域:
环境科学
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材料科学
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物理化学
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吸附分离
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污染治理
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DOI
高影响因子
CHIRALITY
·
2012
·Vol. 24
·期 5
·391-399
·
IF 2.35
Hui Yu,Chenghua Yin,Cunyu Jia,Yu Jin,Yanxiong Ke,Xinmiao Liang
Two “click” binaphthyl chiral stationary phases were synthesized and evaluated by liquid chromatography. Their structures incorporate S-(−)-1,1'-binaphthyl moiety as the chiral selector and 1,2,3-triazole ring as the spacer. These chiral stationary phases (CSPs) allowed the efficient resolution for a wide range of racemic BINOL derivatives, particularly for nonpolar diether derivatives and 3-phenyl indolin-2-one analogs. The chromatographic data showed that the π–π interaction was crucial for enantiorecognition of these CSPs. Loss of enantioselectivity observed on CSP3 , which are lacking the triazole ring linkage, indicated that the triazole ring linkage took part in the enantioseparation process, although it was remote from the chiral selector of the CSP. The substitution of the phenyl group at 6 and 6' positions can significantly improve the separation ability of the CSP. The chiral recognition mechanism was also investigated by tracking the elution orders and studying the thermodynamic parameters. Chirality 24:391–399, 2012 . Copyright © 2012 Wiley Periodicals, Inc.
研究领域:
分析化学
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药物化学
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色谱学
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手性分离
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有机合成
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DOI
高影响因子
RSC Advances
·
2017
·Vol. 7
·期 36
·22485-22491
·
IF 3.108
Hailiang Zhao,Shanshan Tang,Qun Zhang,Lin Du
The weak intermolecular interaction between 2,2,2-trifluoroethanol (TFE) and 3-chloro-2-methyl-1-propene (CMP) has been investigated by gas phase FTIR spectroscopy and DFT calculations. CMP offers two hydrogen bond docking sites to the hydrogen bond donor: the chlorine atom (O–H⋯Cl) and the CC π electron system (O–H⋯π). DFT calculations suggest that MeOH approaches CMP in five different orientations. The structural, energetic, and spectroscopic parameters of the most stable structures in each orientation were studied, and their binding energies range from −25.5 to −19.5 kJ mol−1. The docking to the π system is at least 1 kJ mol−1 more favored than the docking to the chlorine atom. The equilibrium constant for complexation (2.3 × 10−2) was determined from the experimental and calculated intensity of the OH-stretching transition. The Gibbs free energy of formation was found to be 9.3 kJ mol−1. The nature of the non-covalent interaction was analyzed with the atoms in molecules (AIM) method.
研究领域:
物理化学
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结构化学
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分子光谱学
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量子化学计算
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分子间相互作用
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DOI
高影响因子
危险品化学品经营许可证（带存储）