CHEMICAL ENGINEERING JOURNAL
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2021
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IF 13.273
Yuangang Xu,Lujia Ding,Feng Yang,Dongxue Li,Pengcheng Wang,Qiuhan Lin,Ming Lu
A high energy cyclo -pentazolate ( cyclo -N 5 − ) salt with 90.98 % nitrogen content, LiN 5 , was synthesized by a simple metathesis reaction of AgN 5 and LiCl in deionized water . It was characterized by 15 N nuclear magnetic resonance, infrared and Raman spectroscopy , elemental analysis, thermogravimetry-mass (TG-MS) spectrometry, and differential scanning calorimetry . Besides, its trihydrate (LiN 5 ·3H 2 O) and anhydrous zeolitic architecture (LPF, lithium-pentazolate framework) structures were confirmed by single-crystal X-ray diffraction. LiN 5 achieved stability in air and under ambient conditions. It starts to decompose when heated to 133 °C (onset) under Ar 2 flow. Its relatively high density (1.75 g cm −3 ), impact and friction sensitivity (IS = 3 J; FS = 20 N), and calculated high heat of formation (3.44 kJ g −1 ), combined with its theorical superior detonation velocity and pressure ( D = 11362 m s −1 , P = 40.9 GPa), endow LiN 5 with potential as an environmentally primary explosive.
研究领域:
化学
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材料科学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2019
·
IF 2.298
Zhen Liu,Gui Chen,Fa Zhou,Jianhan Huang
Herein, imidazolium salt incorporated poly(N-vinylimidazole-co-ethylene glycol dimethacrylate) was developed for adsorption of Congo Red (CR) and Hg2+ from aqueous solution. By the introduction of N-vinylimidazole and p-dichloroxylene on the skeletons, this polymer contained not only ionized imidazole moieties but also plenty of mesopores, endowing the polymer with excellent adsorption of CR and Hg2+. The maximum capacity at 298 K reached 503.0 and 240.0 mg/g, respectively. The Langmuir model described the equilibrium data well, and a chemical interaction in forms of electrostatic interaction, hydrogen bonding, and chelating interaction was involved in the adsorption with adsorption enthalpies of 9.99 and 17.28 kJ/mol, respectively. The adsorption was a fast process, and less than 20 min was sufficient to attain the equilibrium with pseudo-second-order rate constants of 4.003 × 10–3 and 9.830 × 10–4 g/(mg·min), respectively.
研究领域:
环境科学
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材料科学
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产品关联
DOI
高影响因子
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
·
2019
·Vol. 35
·期 3
·403-409
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IF 1.071
Zhou Jie,Wu Shaojie,Zhang Wenhui,Liu Qing,Yang Bin,Ren Yinghui,Ma Haixia,Zhao Fengqi,Hu Rongzu
Three energetic ion salts of 3,6-bis[(1 H -1,2,3,4-tetrazol-5-yl)-amino]-1,2,4,5-tetrazine(BTATz), namely, methylamine salt(compound 1 ), ethylenediamine salt(compound 2 ), and diethylamine salt(compound 3 ), were synthesized and characterized by elemental analysis, Fourier transform infrared spectrometry, 1 H NMR spectroscopy, and 13 C NMR spectroscopy. The crystal structure of compound 1 was determined by single-crystal X-ray crystallography, and structural analysis revealed that it belonged to the monoclinic system with P 2 1 /c space group. In addition, the thermal behavior of the three compounds was studied by differential scanning calorimetry and thermogravimetry techniques. The thermal decomposition peak temperatures of the compounds were 574.89, 545.60, and 606.72 K, indicating that the three ion salts exhibited good thermal stability. The kinetic mechanism equations of the main decomposition process and the entropy of activation(Δ S ≠ ), enthalpy of activation(Δ H ≠ ), and Gibbs free energy of activation(Δ G ≠ ) of the three compounds were also obtained. Moreover, the thermal safety of the compounds was evaluated by the values of the self-accelerated decomposition temperature( T SADT ), thermal ignition temperature( T TIT ), and critical temperature of thermal explosion( T b ). The results showed that all the compounds demonstrated good thermal safety, and the thermal safety of compound 3 was better than that of the others.
研究领域:
化学
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材料科学
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物理化学
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DOI
高影响因子
ACS Sustainable Chemistry & Engineering
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2023
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IF 8.4
De Bai,Jiahong Huang,Yiyang Bo,Mi Wang,Wen Yu,Zhenyuan Wang,Chengyu Wu,Jiaheng Zhang
In this study, we synthesized a supramolecular antibacterial ionic salt, [PHMB][Sal], based on poly(hexamethylene biguanide) hydrochloride (PHMB) and sodium salicylate (SS) to endow plastic membranes with antibacterial function. The antibacterial composites of polyelectrolyte-nonsteroidal ionic salt can be blended with polymer materials, such as polybutylene adipate terephthalate (PBAT), because the melting point of the salt can be coordinated with that of the polymer material. The properties of the prepared membranes containing polyelectrolyte-nonsteroidal ionic salts did not change significantly. The mechanical properties and antimicrobial activities of the prepared hydrophobic membranes were investigated. When 3% of [PHMB][Sal] was added, the antimicrobial activities against Gram-positive Staphylococcus aureus and Escherichia coli were 4.12 and 4.30, respectively, and the antibacterial rate was as high as 99.9%, exhibiting extremely excellent antimicrobial properties. Biodegradable [PHMB][Sal] membrane materials are expected to be used in medical environments as well as on packaging surfaces in logistics, which can effectively prevent bacterial cross-infection.
研究领域:
材料科学
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生物医学工程
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产品关联
DOI
高影响因子
MOLECULES
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2023
·Vol. 28
·期 12
·4722
·
IF 4.6
Tao Wang,Qiuxiao Wang,Yifei Zhou,Yaolin Shi,Haixiang Gao
Terbinafine, an inhibitor of squalene epoxidase in ergosterol biosynthesis, is chiefly utilized as an antifungal medication with potential uses in pesticide applications. This study explores the fungicidal efficacy of terbinafine against prevalent plant pathogens and confirms its effectiveness. To augment its water solubility, five ionic salts of terbinafine were synthesized by pairing them with organic acids. Among these salts, TIS 5 delivered the most impressive results, amplifying the water solubility of terbinafine by three orders of magnitude and lessening its surface tension to facilitate better dispersion during spraying. The in vivo experiments on cherry tomatoes showed that TIS 5 had a superior therapeutic activity compared to its parent compound and two commonly used broad-spectrum fungicides, pyraclostrobin and carbendazim. The results highlight the potential of terbinafine and its ionic salts, particularly TIS 5, for use as fungicides in agriculture due to their synergistic effects with furan-2-carboxylate.Keywords:terbinafine;ionic salts;solubility;surface tension;agricultural antifungal activity
研究领域:
农业科学
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药理学
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植物病理学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
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2020
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IF 2.463
Mi Wang,Zhenyuan Wang,Binshen Wang,Jichuan Zhang,Jiaheng Zhang
The incorporation of both fuel and oxidizer properties into a single molecule to effectively improve the oxygen balance of energetic compounds has become one of the most acceptable strategies for the design of modern high-energy-density materials (HEDMs). To identify more powerful and less sensitive HEDMs with favorable oxygen balance, novel nitrogen- and oxygen-enriched dicationic 3,4-diaminotriazolium salts were prepared via the quaternization of 3,4-diamino-triazole with 4,4′-bis(nitramino)azofurazan and 4,4′-bis(nitramino)azoxyfurazan, and then fully characterized. These compounds exhibited favorable thermal stabilities with decomposition temperatures up to 216°C, high densities over 1.82 g · cm −3 as well as acceptable sensitivities. In addition, the two-dimensional fingerprint spectra based on Hirshfeld surface analysis were adopted to illustrate structure–property relationships. Based on the combination of experimentally determined densities and heats of formation calculated with Gaussian 03, the energetic properties were determined using the EXPLO5 v6.02 program. The newly synthesized ionic salts displayed excellent detonation properties ( V d , 9115-9220 m · s −1 ; P , 33.9-35.4 GPa), comparable to those of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX), thus highlighting their potential in energetic material applications.
研究领域:
化学
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材料科学
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2024
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IF 8.1
Jialong Ou,Yuanhao Wang,Fei Liu,Tianxiang Zhao
The development of metal-free and high-efficiency heterogeneous catalysts for the chemical conversion of CO 2 into value-added chemicals is crucial for carbon cycling. Here, we report the synthesis of a four-armed urea-functionalized ionic salt that incorporates active bromide ions (Br − ) and urea groups. This salt was subsequently grafted onto ordered mesoporous SiO 2 (SBA-15) to catalyze the cycloaddition reaction between CO 2 and epoxides. The impacts of structure features, grafting density of the urea-functionalized ionic salts, and pore size of SBA-15 on catalytic performance were systematically investigated. The results obtained emphasize that SBA-15–5@TEU(1:1) demonstrates remarkable synergistic catalytic efficacy, facilitating the efficient transformation of various epoxides into cyclic carbonates through cycloaddition reactions in the absence of both solvents and cocatalysts. Notably, this catalyst achieves a maximum yield of up to 99%. Additionally, SBA-15–5@TEU(1:1) demonstrates excellent reusability, with no significant decrease in catalytic activity observed over multiple cycles. Mechanistic studies further elucidate the crucial roles of Br − and urea groups in facilitating the synergistic catalysis of CO 2 cycloaddition reaction. This work presents novel insights the design of metal-free and co-catalyst-free heterogeneous catalysts for efficient CO 2 conversion.
研究领域:
化学
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材料科学
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产品关联
DOI
高影响因子
Journal of Materials Chemistry A
·
2025
·
IF 9.5
Zhiyu Jin,Bin Song,Xiang Chen,Lei Shi,Feng Feng Zhao,Pengxiang Gao,chong zhang,Bingcheng Hu
The change in chemical or physical properties of materials composed of repeated methylene units with odd or even numbers of linkages is a well-documented phenomenon in organic chemistry and materials science. So far, such behavior has not been reported for the important class of cyclo-pentazolate anion (cyclo-N5−) salts. In this study, we successfully synthesized and characterized four novel cyclo-N5ˉ salts, which the alkyl chains in the tetrazole cations contain varying odd and even carbon numbers. X-ray single-crystal diffraction analysis reveals distinct structural arrangements dependent on the carbon atom parity in the tetrazolium cation's alkyl chain. When the alkyl chain contains an odd number of carbon atoms, the tetrazolium cation, cyclo-N5−, and hydrogen bonds adopt a helical configuration, resulting in a highly ordered crystalline structure. Conversely, alkyl chains with an even number of carbon atoms lead to planar arrangements of these components, manifesting in relatively disordered crystal structures. Our findings disclose the importance effect of minor changes in the molecular conformation of organic cations on the crystal structure, sensitivity and energetic properties of cyclo-N5− salts, demonstrating the control of key properties of cyclo-N5− salts by alkyl chain engineering of the cations.
研究领域:
有机化学
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材料科学
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
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2025
·
IF 4.7
Jianshuo Cheng,Feng Yang,Xianfeng Wang,Shaijie Jiang,Ming Lu,Yuangang Xu
High-energy-density materials (HEDMs) based on five-membered nitrogen heterocycles functionalized with dinitromethyl groups hold significant potential but face challenges in balancing energy and stability. While dinitromethyl derivatives of azoles and oxadiazoles exhibit high enthalpies of formation and detonation performance, their inherent acidity, mechanical sensitivities, and poor stability limit practical applications. Energetic salts have been widely explored to enhance stability, yet most reported salts suffer from reduced densities compared to their neutral analogs. Herein, we report the synthesis and characterization of a novel meta-substituted dinitromethylpyrazole derivative, 4-dinitromethyl-1-nitropyrazole ( 5 ), and its ammonium ( 6a ), hydrazinium ( 6b ), and hydroxylammonium ( 6c ) salts. Remarkably, all three salts exhibit superior densities (1.81–1.89 g cm −3 ), surpassing that of neutral 5 (1.74 g cm −3 ), while maintaining enhanced thermal stabilities and reduced mechanical sensitivities. Single-crystal X-ray diffraction and theoretical calculations jointly reveal that the structural transformation from a twisted neutral molecule to a planar dinitromethyl anion, driven by deprotonation, induces a synergistic interplay of intermolecular forces. This transition fosters robust hydrogen-bond networks, intensified π-π stacking interactions, and elevated packing coefficients, while simultaneously enhancing aromaticity and conjugation effects. Concurrently, destabilizing O···O repulsions are significantly reduced. These combined structural and electronic modifications collectively contribute to superior density and thermochemical stability, overcoming the typical density loss observed in analogous systems. This work challenges the conventional limitations of ionic HEDMs and provides a strategic approach to designing high-density, low-sensitivity energetic salts through rational substitution and crystal engineering. The results highlight the critical role of molecular geometry and counterion selection in achieving balanced energetic performance, offering new avenues for advancing HEDM development.
研究领域:
化学
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材料科学
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有机化学
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物理化学
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晶体工程
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含能材料
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DOI
高影响因子
POLYMER COMPOSITES
·
2014
·Vol. 36
·期 11
·2076-2083
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IF 1.455
Huihui Xu,Jidi Cui,Chunyue Pan,Guipeng Yu,Shiyu Hong,Xipeng Wang,Zhijiang Yao
Polymer blends and composite films were facilely prepared from their aqueous solutions with varying contents of poly(3,4-ethylenedioxythiophene) (PEDOT), polyethylene oxide (PEO), and polyacrylic acid (PAA). The physicochemical and electric properties of the composite films were analyzed by Raman spectra, infrared spectra (FT-IR), scanning electronic microscopy (SEM), thermogravimetric analysis (TGA), and four-point probe method. PEDOT was successfully incorporated into each blend which was confirmed by spectra analysis. The crystallization of PAA or PEO and the structure of PEDOT should be taken into consideration for the electronic conductivity. According to Raman spectra, in the case of PEDOT–PAA–PEO, conformation of the PEDOT backbone changed from the quinoid to the benzoid structure partly. The ionic conductivities of lithium-ion salt-mixed PAA–PEO and ternary blend were characterized by AC impedance spectroscopy. The ternary blend with LiCoO 2 presents good electronic and ionic conductivity, and it appears to be a new candidate for polymeric mixed ionic electronic conductor. POLYM. COMPOS., 36:2076–2083, 2015. © 2014 Society of Plastics Engineer
研究领域:
材料科学
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电化学
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产品关联
DOI
高影响因子
Science China-Chemistry
·
2017
·Vol. 61
·期 2
·172-179
·
IF 4.132
Qu Jishuang,Jiang Xiaoqing,Yu Ze,Lai Jianbo,Zhao Yawei,Hu Maowei,Yang Xichuan,Sun Licheng
The development of an efficient, stable, and low-cost hole-transporting material (HTM) is of great significance for perovskite solar cells (PSCs) from future commercialization point of view. Herein, we specifically synthesize a dicationic salt of X60 termed X60(TFSI) 2 , and adopt it as an effective and stable “doping” agent to replace the previously used lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) for the low-cost organic HTM X60 in PSCs. The incorporation of this dicationic salt significantly increases the hole conductivity of X60 by two orders of magnitude from 10 −6 to 10 −4 S cm −1 . The dramatic enhancement of the conductivity leads to an impressive power conversion efficiency (PCE) of 19.0% measured at 1 sun illumination (100 mW cm −2 , AM 1.5 G), which is comparable to that of the device doped with LiTFSI (19.3%) under an identical condition. More strikingly, by replacing LiTFSI, the PSC devices incorporating X60(TFSI) 2 also show an excellent long-term durability under ambient atmosphere for 30 days, mainly due to the hydrophobic nature of the X60(TFSI) 2 doped HTM layer, which can effectively prevent the moisture destroying the perovskite layer. The present work paves the way for the development of highly efficient, stable, and low-cost HTM for potential commercialization of PSCs.
研究领域:
材料科学
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能源化学
·
光伏技术
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纳米材料
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表面科学
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DOI
高影响因子
ChemElectroChem
·
2021
·Vol. 8
·期 5
·858-865
·
IF 4.59
Qiliang Qiu,Xiaowei Chi,Jiaqi Huang,Yuexiu Du,Yu Liu
Graphical Last a lifetime : Quaternary ammonium cationic compounds are developed as electrolyte-regulating agents to guide homogeneous zinc plating, thereby effectively suppressing the formation of zinc dendrites. In the electrolyte containing proper regulating agent, highly reversible Zn stripping/plating performance with an ultra-long cycling time of 3000 h and a high average coulombic efficiency of 99.7 % are achieved. Aqueous zinc-ion batteries (AZIBs) have attracted wide attention as large-scale energy storage systems, owing to their obvious merits such as high safety, low cost, and simple maintenance. However, the development of AZIBs is seriously hindered by Zn dendrite-induced low efficiency, cell fading, and even cell short-circuiting. Unlike the traditional anode modification strategies, this work stabilized the Zn anode by functionalizing the aqueous electrolyte with a series of quaternary ammonium cationic compounds. The cations of the compounds can be adsorbed on the surface of the metallic Zn during electrodeposition process, which alters the nucleation and deposition behavior of zinc ions according to the molecular structure of the cations. Tetraethyl ammonium bromide (TEAB) was, for the first time, demonstrated to guide homogeneous Zn deposition, thereby inhibiting the growth of dendrites in near-neutral electrolytes. Highly reversible Zn stripping/plating performance with an average coulombic efficiency of 99.7 % is achieved. Particularly, the Zn−Zn symmetric cell based on TEAB-containing electrolyte exhibits an ultra-long cycling time of 3000 h at 1 mA cm −2 and even 800 h at 5 mA cm −2 ; the Zn−MnO 2 full cell shows stable cycling under the condition of the practical-level mass loading.
研究领域:
储能系统
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材料科学
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电化学
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电池技术
·
表面改性
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DOI
高影响因子
危险品化学品经营许可证（带存储）