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JOURNAL OF PHYSICAL CHEMISTRY A · 2018 · IF 2.836

Gas-Phase Oxidation of Allyl Acetate by O3, OH, Cl, and NO3: Reaction Kinetics and Mechanism

Shuyan Wang,Lin Du,Jianqiang Zhu,Narcisse T. Tsona,Shijie Liu,Yifeng Wang,Maofa Ge,Wenxing Wang

Allyl acetate (AA) is widely used as monomer and intermediate in industrial chemicals synthesis. To evaluate the atmospheric outcome of AA, kinetics and mechanism of its gas-phase reaction with main atmospheric oxidants (O3, OH, Cl, and NO3) have been investigated in a Teflon reactor at 298 ± 3 K. Both absolute and relative rate methods were used to determine the rate constants for AA reactions with the four atmospheric oxidants. The obtained rate constants (in units of cm3 molecule–1 s–1) are (1.8 ± 0.3) × 10–18, (3.1 ± 0.7) × 10–11, (2.5 ± 0.5) × 10–10, and (1.1 ± 0.4) × 10–14, for reactions with O3, OH, Cl, and NO3, respectively. While results for reactions with O3, OH and Cl are in good agreement with previous studies, the kinetics for the reaction with NO3 is reported for the first time in this study. On the basis of determined rate constants, the tropospheric lifetimes of AA are τO3 = 9 days, τOH = 5 h, τCl = 5 days, τNO3 = 2 days. On the basis of the products study, reaction mechanisms for these oxidations have been proposed and the reaction products were detected using thermal desorption–gas chromatography–mass spectrometry (TD–GC–MS) and Fourier transform infrared spectroscopy (FTIR). Results show that the main products formed in these reactions are carbonyl compounds. In particular, 2-oxoethyl acetate was detected in all four AA oxidation reactions. Compared to previous studies, several new products were determined for reactions with OH and Cl. These results form a set of comprehensive kinetic data for AA reactions with main atmospheric oxidants and provide a better understanding of the degradation and atmospheric outcome of unsaturated acetate esters in the troposphere, during both daytime and nighttime.

研究领域: 大气化学 · 环境科学 · 反应动力学 · 空气污染
✓ 已验证 DOI 高影响因子
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JOURNAL OF PHYSICAL CHEMISTRY A · 2017 · IF 2.847

Gas-Phase Reaction of Methyl n-Propyl Ether with OH, NO3, and Cl: Kinetics and Mechanism

Jianqiang Zhu,Shuyan Wang,Narcisse T. Tsona,Xiaotong Jiang,Yifeng Wang,Maofa Ge,Lin Du

Rate constants at room temperature (293 ± 2 K) and atmospheric pressure for the reaction of methyl n-propyl ether (MnPE), CH3OCH2CH2CH3, with OH and NO3 radicals and the Cl atom have been determined in a 100 L FEP-Teflon reaction chamber in conjunction with gas chromatography-flame ionization detector (GC-FID) as the detection technique. The obtained rate constants k (in units of cm3 molecule–1 s–1) are (9.91 ± 2.30) × 10–12, (1.67 ± 0.32) × 10–15, and (2.52 ± 0.14) × 10–10 for reactions with OH, NO3, and Cl, respectively. The products of these reactions were investigated by gas chromatography-mass spectrometry (GC-MS), and formation mechanisms are proposed for the observed reaction products. Atmospheric lifetimes of the studied ether, calculated from rate constants of the different reactions, reveal that the dominant loss process for MnPE is its reaction with OH, while in coastal areas and in the marine boundary layer, MnPE loss by Cl reaction is also important.

研究领域: 大气化学 · 环境科学 · 化学动力学
✓ 已验证 DOI 高影响因子
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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Fabrication and investigation of ignition and combustion characteristics of CL-20/CDs composite energetic micro-units

Jiechao Wang,Jiangdong Xu,Wangjian Cheng,Lei Gao,Yutong Wang,Huaiqian Liu,Qianqian He,Chongwei An,Chuanhao Xu

Introducing “0D” CDs as photosensitizers to enhance the laser responsiveness • Constructing photothermal conversion interface micro-units using hydrogen bonding • CDs regulate the pore size distribution of porous micro-units • Establishment of the ignition-combustion model and mechanistic elucidation Composite energetic micro-units are integrated energetic systems in which synergistic components and structural design enable functional coupling and controllable energy release, offering a crucial assembly strategy for efficient laser ignition of high-energy explosives. A key scientific challenge lies in constructing photosensitive micro-units with stable photothermal conversion interfaces and effective energy transfer pathways. In this work, CL-20 is used as the primary energy releasing component, while carbon dots (CDs) are innovatively introduced as photosensitive materials. Sodium alginate (SA) and polyvinyl alcohol (PVA) form the network framework to construct spherical composite energetic micro-units with a three-dimensional porous architecture. Characterization of chemical composition, morphology, and pore size distribution reveals that CDs induce the formation of intermolecular hydrogen bonds and the rearrangement of the hydrogen-bonding network between SA and PVA, which anchoring the boundaries of the 3D network, suppressing the formation of large pores (>50 μm), and enabling controlled regulation of pore size distribution. Laser ignition tests demonstrate that both ignition threshold and ignition delay decrease with increasing CDs content, reaching minima of 166.66 W·cm −2 and 35.4 ms, respectively, confirming the high photothermal conversion efficiency. Furthermore, increasing CDs content (1–9%) induces a pore-migration effect, where large pores gradually disappear and small pores (<50 μm) become dominant. This small porous structure shortens heat and mass transfer distances during combustion and enhances energy release efficiency. For instance, the combustion duration of sample C 7 (7% CDs) is 3.37 times shorter than that of C 1 (1% CDs). These findings provide valuable guidance and data support for the photosensitized design of composite energetic micro-units and for advancing the understanding of their laser ignition and combustion propagation characteristics in high-energy explosive systems.

CAS / MDL: 10125-13-0 9005-38-3
✓ 已验证 产品关联 DOI 高影响因子
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Inorganic Chemistry Frontiers · 2019 ·Vol. 6 ·期 11 ·3133-3139 · IF 5.934

Pb2Cd(SeO3)2X2 (X = Cl and Br): two halogenated selenites with phase matchable second harmonic generation

Ya-Ping Gong,Chun-Li Hu,Yun-Xiang Ma,Jiang-Gao Mao,Fang Kong

Two new halogenated selenites, namely, Pb2Cd(SeO3)2X2 (X = Cl and Br), were synthesized via mild hydrothermal reactions. The isomorphic compounds crystallized in a noncentrosymmetric (NCS) and chiral space group. Their three-dimensional (3D) structures were formed by alternating undulated [Pb2(SeO3)X]∞+ cationic layers and flattened [Cd(SeO3)X]∞− anionic layers. Thermal analyses revealed that the compounds can remain stable up to 500 °C. The SHG efficiencies of Pb2Cd(SeO3)2X2 (X = Cl and Br) are much higher than those of commercial KDP (KH2PO4), and they are phase-matchable. UV-vis-NIR diffuse reflectance spectra revealed that the two compounds exhibited wide optical band gaps. The laser damage thresholds of Pb2Cd(SeO3)2X2 (X = Cl and Br) were measured to be about 38.5 and 35.7 times higher than that of AGS (AgGaS2). Their calculated birefringences were large enough to accomplish phase matching in SHG progression. The SHG density analyses disclosed that the lone pair electrons of the SeO3 and PbOnXm units made major contributions to their nonlinear efficiencies.

研究领域: 材料科学 · 晶体学
✓ 已验证 DOI 高影响因子
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Journal of Environmental Chemical Engineering · 2022 · IF 7.968

Influence of residual anions (Cl-, SO42- and NO3-) on Mn2O3 for photothermal catalytic oxidation of toluene

Xiao Yu,Banghong Deng,Lixia Yang,Moliang Zou,Zhenglin Chen,Yixuan Fan,Zhihui Wei,Kai Chen,Mingxia Lu,Tiantian Ying,Jie Zhang,Weili Dai

Mn 2 O 3 is a conventional catalyst that is applied in photothermal catalytic oxidation of toluene while regular anions like SO 4 2- , Cl - , and NO 3 - from different Mn precursors are left in Mn 2 O 3 . When applied in toluene degradation, the declining activity of Mn 2 O 3 is always observable because the residual anions block the Mn 4+ /Mn 3+ active sites, shield the oxygen vacancies, and cube the production of active oxygen species (O 2 - , O - ). Herein, it is found that the residual SO 4 2- , Cl - , and NO 3 - make Mn 2 O 3 incapacitated in deeply oxidizing the intermediates and cutting off the reaction process, and their influence ranks in the order of SO 4 2- >Cl - >NO 3 - . Compared with pristine Mn 2 O 3 , the drops in CO 2 conversion efficiency account for 11 %, 60 %, and 73 %, respectively. Nevertheless, rinsing with water is an effective method to remove the residual anions, and the more the rinsing, the better the toluene mineralization degree. This work provides a profound cognition of the deactivation mechanism of SO 4 2- , Cl - , and NO 3 - and points out an effective way to abate their negative effect for the first time.

研究领域: 环境科学 · 催化材料
✓ 已验证 DOI 高影响因子
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Functional Materials Letters · 2024 · IF 1.2

Preparation of F/Mn-doped CsPb(Br/Cl)3 quantum-dot glass and their luminescence properties

Zhuqing Sun,Yongxia Li,Haowen Bai,Shenghang Jin,Haibo Zhang,Guanying Cao

All inorganic lead halide cesium perovskite quantum dots (QDs) have attracted much attention due to their excellent luminescence properties, but further development is restricted by their stability and the existence of toxic element lead. In this paper, F/Mn-doped CsPb ( Br / Cl ) 3 QDs glass was prepared by melt quenching and heat treatment, with reduced Pb content effectively. The result shows that the spectrum of the QD glass is adjustable between 450 nm and 515.4 nm by changing the feeding ratio of Mn-Pb ion and heat treatment temperature. Moreover, the indraught of Mn 2 + effectively improves the PLQY of CsPb ( Br / Cl ) 3 QDs glass and serves as a red-emitting. The prepared composites not only maintain good fluorescence characteristics, but also greatly improve the stability of QDs. And successfully coupled with blue LED chips to synthesize WLED, Under 20 mA current, the color coordinate is (0.3446, 0.3389).

研究领域: 材料科学 · 纳米技术 · 光电子学 · 固体物理 · 无机化学
✓ 已验证 DOI 高影响因子
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Inorganic Chemistry Frontiers · 2023 ·Vol. 10 ·期 11 ·3319-3325 · IF 7

Quasi-linear CuX2 (X = Cl, Br) motif-built hybrid copper halides realizing encouraging nonlinear optical activities

Jing-Li Qi,Jiajing Wu,Yue Guo,Zhong-Ping Xu,Wenlong Liu,Sheng-Ping Guo

The emerging organic–inorganic hybrid metal halides feature unique optical and electronic properties, are easily grown and have flexible crystal structures, making them a class of promising next-generation nonlinear optical (NLO) and ferroelectric materials. Herein, we successfully synthesized two centimeter-level zero-dimensional copper halide organic–inorganic hybrids (C20H20P)CuX2 (X = Cl, Br) that are crystallized in the monoclinic noncentrosymmetric P21 space group. Their structures contain rare quasi-linear [CuX2]– anions and [C20H20P]+ cations. (C20H20P)CuCl2 and (C20H20P)CuBr2 crystals show phase-matchable NLO effects around 1.1 and 0.87 times that of benchmark KDP, respectively. These (C20H20P)CuX2 materials are the first NLO-active examples in the hybrid copper(I) halide family containing a quasi-linear CuX2 unit.

研究领域: 材料科学 · 光学
✓ 已验证 DOI 高影响因子
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JOURNAL OF LUMINESCENCE · 2026 · IF 3.8

Super-hydrophobic CsPbX3 (X=Cl, Br, I) perovskite nanocrystals membranes based on bionic lotus leaf interface

Hongwei Xu,Yang Chen,Leilei Kuai,Chengjun Liu,Jianjun Zhao,Quan Liu,Bo Wei,Junpeng Xue,Zutao Fan

Metal halide perovskite nanocrystals (PNCs), particularly all-inorganic CsPbX 3 (X = Cl, Br, I), exhibit exceptional optoelectronic properties, positioning them as revolutionary materials for LEDs, displays, and photodetectors. However, their commercialization is impeded by environmental instability under moisture, heat, and light. To address this, we introduce a solvent-induced surface rheological engineering (SISRE) strategy to fabricate super-hydrophobic CsPbX 3 -PS composite membranes inspired by the lotus leaf effect. Key innovation lies in controlled spraying of a THF/ethanol mixture (3:1 v/v) onto the membrane surface. THF selectively dissolves surface PS to induce micro/nano hierarchical roughness, while ethanol triggers rapid polymer re-solidification. By modulating spray passes (5–15 cycles), we achieved tunable hydrophobicity with contact angles increasing from 70° to >140° (Cassie-Baxter state), while maintaining PLQY∼72% for CsPbBr 3 PNCs membrane. The optimized super-hydrophobic membrane (12 spray cycles) nearly exhibited a 2.7-fold enhancement in water stability (PLQY decay rate: 1.65%/day vs. 4.46%/day for untreated films). In addition, when applied as a down-conversion layer on blue LEDs (λ peak  = 452 nm), the device achieved 111% NTSC color gamut coverage (98% Rec.2020) with CIE coordinates (0.328, 0.288) and CCT = 5722 K. This work provides a scalable, appliable route to concurrently enhance environmental stability and optoelectronic performance of PNCs.

✓ 已验证 产品关联 DOI 高影响因子
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ACS Applied Nano Materials · 2023 · IF 5.9

Portable Smartphone-Enabled Single-Drop Sensors Based on CsPbX3 (X = Cl, Br) Perovskite Composite Nanofiber Membranes

Yanchao Yu,Yuan Gao,Wenjuan Wang,Hanyang Chen,Yuzhe Yun,Seeram Ramakrishna,Jun Zhang,Yun-Ze Long

Traditional detection methods usually use a spectrometer, which requires a professional tester to operate and is not convenient to carry around. Herein, we designed a 5G smartphone-based portable test sensor that uses a CsPbBr3 composite fibrous membrane prepared by a one-step in situ growth method as the test paper, and the test is realized by taking pictures with the smartphone. This portable detection method requires only one drop of liquid to be detected (<25 μL), which is superior to many detection systems that require a large amount of liquid to be detected (>1 mL). Moreover, the detection sensitivity can reach 0.1 ppm, which is more sensitive than the CsPbBr3 composite fiber membrane prepared by the conventional encapsulated method. In addition, this CsPbBr3 composite fiber membrane is reusable and can still achieve highly sensitive detection with a single drop after 100 uses. This smartphone-based portable test sensor is small in size and easy to use and can be used at home or outdoors anytime and anywhere.

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INORGANIC CHEMISTRY · 2023 · IF 4.6

Li3B8O13X (X = Cl and Br): Two New Noncentrosymmetric Crystals with Large Birefringence Induced by BO3 Units

Mei Hu,Nuerbiye Tuerhong,Zhaohui Chen,Qun Jing,Ming-Hsien Lee

Enthusiasm for the exploration of nonlinear alkali metal borates remains high. Focusing on the Li–B–O–X (X = Cl and Br) system, two examples of noncentrosymmetric borates, Li3B8O13Cl and Li3B8O13Br, were obtained using a high-temperature solution method under vacuum conditions. Structurally, the Li3B8O13X crystals exhibit two independent alternately arranged three-dimensional B–O network structures formed by the basic building block unit B8O16. The performance measurements demonstrate their short ultraviolet cutoff edges. The theoretical calculation indicates that the BO3 units dominate the contribution to their large optical anisotropy with the birefringence, 0.094 and 0.088@1064 nm for Li3B8O13Cl and Li3B8O13Br, respectively.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Crystals · 2023 ·Vol. 13 ·期 6 ·983 · IF 2.7

Preparation of N, Cl Co-Doped Lignin Carbon Quantum Dots and Detection of Microplastics in Water

Hao Zhao,Zishuai Jiang,Chengyu Wang,Yudong Li

The research on rapid and efficient detection of microplastics in water is still in its early stages. Fluorescence feature recognition represents an important and innovative approach to microplastic detection. While carbon quantum dots have been widely used in various environmental detection methods, their use for detecting microplastics in water environments has been rarely reported. In this study, N and Cl co-doped carbon quantum dots were synthesized via a hydrothermal method. The heteroatom doping process endowed them with blue luminescence properties, and their adsorption for microplastics was improved through the introduction of positive and negative charges and intermolecular forces. By utilizing a combined mechanism of fluorescence and Rayleigh scattering, the detection of polystyrene microplastics with three different particle sizes was achieved. In the detection process, it exhibits excellent light stability. Notably, the nano-polystyrene exhibited a good nonlinear relationship within the range of 0.01 g/L to 0.001 g/L, with R2values of 0.923 and 0.980 and a detection limit of 0.4 mg/L. These findings provide a novel approach for the detection of nano microplastics.Keywords:lignin;carbon quantum dots;co-doping;microplastic detection

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Solid–Liquid Equilibria of the Quinary System Li+, K+, Mg2+//Cl–, B4O72––H2O at 323.2 K

Xudong Yu,Xia Feng,Shan Feng,Yun Peng,Ying Zeng

The solid–liquid equilibria of the quinary system Li+, K+, Mg2+//Cl–, B4O72––H2O at 323.2 K were investigated by the isothermal dissolution method. The solubility, refractive index, and density of the system were determined, and the corresponding space phase diagram, planar projection diagram, water content diagram, and density/refractive index vs composition diagrams saturated with MgB4O7 are constructed based on the experimental data. The result shows that there are double salts of lithium carnallite (LiCl·MgCl2·7H2O) and carnallite (KCl·MgCl2·6H2O) formed in the system. The space phase diagram consists of five invariant points, 16 isothermal solution curves, and eight crystalline regions (Li2B4O7·3H2O, K2B4O7·4H2O, KCl, MgB4O7·9H2O, KCl·MgCl2·6H2O, MgCl2·6H2O, LiCl·MgCl2·7H2O, LiCl·H2O). Under the saturation of salt MgB4O7, the crystalline region of Li2B4O7·3H2O is the largest in the planar projection diagram of this system, and the solubility of LiCl is the largest. A comparison of planar projection diagrams (under the saturation of salt MgB4O7) of the system at 273.2 and 323.2 K shows that the crystallization regions of Li2B4O7·3H2O, KCl·MgCl2·6H2O, LiCl·MgCl2·7H2O, and LiCl·H2O increase along with the temperature, while those of K2B4O7·4H2O and KCl decrease. The results show that low temperature is conducive to the extraction of potassium in the form of K2B4O7·4H2O and KCl and has less entrainment loss; high temperature is beneficial to the precipitation of Li2B4O7·3H2O.

CAS / MDL: 7791-18-6
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