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Carbon Neutrality · 2025 ·Vol. 4 ·期 1 ·1-9 · IF 12.5

Boosting the synthesis of 3-acetamido-5-acetylfuran from N-acetyl-D-glucosamine: understanding the significant role of homogeneous Cl-

Yang Delong,Dai Jinhang,Du Ziting,Cao Qingya,Chen Gang,Qi Ting,Wang Weilu,Li Fukun

Since 3-acetylamino-5-acetylfuran (3A5AF) has been regarded as a promising nitrogen-containing synthon, the conversion of renewable chitin and its monomer N-acetyl-D-glucosamine (NAG) to 3A5AF is of significance. In this paper, we compared the catalytic activity of several Cl-containing compounds and found that LiCl exhibited superior performance. The effects of solvent, catalyst dosage, reaction temperature, and reaction time on the synthesis of 3A5AF were investigated. Under the optimized conditions, about 60% yields of 3A5AF were obtained in N-methyl-2-pyrrolidone (NMP) or dimethylacetamide (DMA) medium. The spent LiCl and DMA could be recycled and reused, without obvious decrease of 3A5AF yield. Moreover, the formed 3A5AF could be purified by a facile procedure. Experiment results and density functional theory (DFT) calculations revealed that homogeneous Cl − was vital for 3A5AF formation. This study provides an example for the effective conversion of chitin biomass to value-added compounds.

CAS / MDL: 67-68-5 7447-41-8
研究领域: 有机化学 · 催化化学 · 可再生资源利用 · 理论计算化学
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Inorganic Chemistry Frontiers · 2024 · IF 6.1

Hg3AsS4X (X = Cl and Br): two Hg-based chalcogenides as long-wave infrared nonlinear optical crystals with superior comprehensive performances

Feng Xu,Xiang Xu,Bingxuan Li,Ge Zhang,Chan Zheng,Jindong Chen,Ning Ye

Long-wave infrared (IR) nonlinear optical (NLO) crystals hold great promise for extensive applications. However, IR NLO crystals with outstanding comprehensive optical and NLO performances are still in great demand. Herein, two Hg-based chalcogenides, Hg3AsS4Cl and Hg3AsS4Br, are synthesized via a chemical vapor transport technique. Attributed to the synergistic combination of [HgS3] groups and structurally aligned [AsS3] groups with lone pair electrons, the two compounds exhibit superior NLO performance, encompassing strong second-harmonic generation (SHG) effects, tremendous birefringence, and a broad transparency range, positioning them as promising long-wave IR NLO materials. Moreover, the luminescent performances of the two compounds are also investigated, revealing interesting ultraviolet (UV) region luminescence emissions, broad emission bands, and large Stokes shifts for potential luminescent applications.

研究领域: 材料科学 · 光学
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Journal of Environmental Chemical Engineering · 2025 · IF 7.2

Mechanistic insights into Cl transformation and calcium-based dechlorination during pyrolysis of waste plastics: Kinetics, product analysis and process optimization

Yubing Cao,Ruitong Gao,Junwei Lei,Yuandong Hou,Min Xu,Shuang Cao,Zhaojun Chen,Yajing Duan,Hui Du

Pyrolysis presents a promising pathway for the chemical recycling of waste plastics. However, the pyrolysis of chlorine-containing plastics can generate hazardous chlorinated compounds. Therefore, it is critical to investigate the migration, transformation, and removal of chlorine during pyrolysis to enable environmentally sustainable recycling. In this study, we combined kinetic analysis with in-situ FTIR and TG-FTIR-MS to elucidate the mechanisms of chlorine migration and transformation during the pyrolysis of chlorinated mixed plastics (CMPs). An efficient dechlorination process using calcium-based additives was also developed. The results indicate that the pyrolysis of CMPs occurs in two distinct stages (Stage Ⅰ and Stage Ⅱ), with average apparent activation energies (Ea) of 166.69 kJ/mol and 243.86 kJ/mol, respectively. The process followed mechanism functions involving diffusion, nucleation, and phase boundary reactions. Initially, weak C–Cl and C–H bonds ruptured preferentially, releasing HCl. This was followed by synergistic cleavage of the main C–C chains, generating radicals such as methyl (·CH₃), butyl (·C₄H₉), propylene (·C₃H₅), and phenyl (·C₆H₅). The combination of these radicals with free chlorine radicals (·Cl) resulted in the formation of diverse and complex chlorinated organic compounds. For dechlorination, Ca(OH)₂ was identified as the optimal calcium-based additive, achieving a chlorine removal efficiency of 97.75 %, attributed to its self-decomposition behavior. This study clarifies the transformation pathways of chlorinated pollutants during pyrolysis and proposes a practical calcium-based dechlorination strategy to support sustainable chlorine management in the valorization of plastic waste.

CAS / MDL: 9002-86-2
研究领域: 环境化学 · 废弃物资源化 · 热解技术 · 污染控制 · 材料循环利用 · 反应动力学
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CHEMICAL PHYSICS LETTERS · 2021 · IF 2.328

Lead-free Cs2SnX6 (X = Cl, Br, I) nanocrystals in mesoporous SiO2 with more stable emission from VIS to NIR light

Ziyu Pan,Bin Liu,Bo Wang,Yingchao Liu,Tingyu Si,Wencai Yi,Yangqing Wu,Jinkai Li,Bingqiang Cao

Lead-free double-perovskite Cs 2 SnX 6 (X = Cl, Br, I) containing Sn 4+ is a more stable lead-free photovoltaic material than its homologue CsSnX 3 . However, its stability in air still affects its application. In this Letter, lead-free inorganic Cs 2 SnX 6 (X = Cl, Br, I) nanocrystals (NCs) were synthesized by a hot injection method and in-situ loaded into mesoporous SiO 2 . With the change of halogen content, the PL emission peak of pristine Cs 2 SnX 6 NCs were tuned from 430 nm to 780 nm covering the visible and near infrared spectrum region. Taking Cs 2 SnI 6 /SiO 2 NCs as an example, the optical property stability in solution is obviously improved, and it can be stored in air for over 2 h. Especially, the more stable NIR emission, non-toxicity and easy hydrolysis characteristics of Cs 2 SnX 6 /SiO 2 composite nanoparticles will have potential medical applications like photothermal and photodynamic therapies for cancers.

研究领域: 材料科学 · 医学
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CRYSTENGCOMM · 2023 ·Vol. 26 ·期 4 ·557-565 · IF 3.1

The crystallization kinetics of poly(ε-caprolactone-co-trimethylene carbonate) (PCLTMC): effects of the molar ratio of CL and TMC

Jiaqiang Ding,Bingyu Xiao,Jinqiu Wu,Dongliang Chen,Dongling Huang,Zuochun Xiong

Poly(ε-caprolactone-co-trimethylene carbonate) (PCLTMC) is a biodegradable copolymer, which is widely used for medicine and tissue repair systems, and its morphology, degradation and mechanical properties have been extensively investigated. However, its crystallization behavior with different copolymerization ratios has not been studied systematically, which is of great significance for the study of property regulation and an understanding of the crystallization behavior of random copolymers. In this paper, the relationship between the crystallization temperature Tc, melting point temperature Tm and crystallinity Xc of copolymers with different molar ratios was determined by differential scanning calorimetry (DSC) using a non-isothermal crystallization method. The results show that the melting point and crystallinity of the copolymer decrease with an increase in TMC composition. The equilibrium melting point of the copolymers was predicted by an isothermal crystallization method, using the Hoffman–Weeks extrapolation method and crystallization rate growth fitting method both based on Lauritzen–Hoffman theory. It is proved that Lauritzen–Hoffman theory is of great significance for guiding the kinetic behavior of PCLTMC crystallization.

研究领域: 材料科学 · 生物医学工程
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Phase Equilibria for the Aqueous Quinary System Li+, Na+, K+, Mg2+//Cl––H2O Saturated with NaCl·2H2O at 258.15 K

Tingting Zhou,Xueli Huang,Baharguli Hadeerbieke,Fangning Yan,Xueying Wang,Qinglong Luo

The phase diagram can guide the comprehensive utilization of salt lake brine, particularly lithium extraction. In this paper, the study on phase equilibria of the quinary system Li+, Na+, K+, Mg2+//Cl––H2O saturated with NaCl·2H2O and its subsystem Li+, Na+, Mg2+//Cl––H2O at 258.15 K were carried out using the isothermal dissolution equilibrium method. Based on the experimental data, equilibrium diagrams for stable phases were plotted. For the equilibrium diagram of the quaternary system Li+, Na+, Mg2+//Cl––H2O at 258.15 K, there are two invariant points, five univariant curves, and four crystallization fields. The quinary system Li+, Na+, K+, Mg2+//Cl––H2O saturated with NaCl·2H2O at 258.15 K contains three invariant points, seven univariant curves, and five crystallization fields. Comparing the phase diagram of the system at 258.15 K to that at 298.15 K reveals that, except KCl, all crystallization zones have decreased, and LiCl·MgCl2·7H2O has the smallest crystallization zone compared to the other salts in the systems. This fundamental research could be valuable for promoting comprehensive utilization of the lithium-containing salt lake brine.

CAS / MDL: 7447-41-8
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CHEMICAL ENGINEERING JOURNAL · 2018 · IF 6.735

Direct white emissive Cl-doped graphene quantum dots-based flexible film as a single luminophore for remote tunable UV-WLEDs

Xiao-Fei Wang,Gui-Gen Wang,Jia-Bing Li,Zheng Liu,You-Xiao Chen,Long-Fei Liu,Jie-Cai Han

Herein we first report new chlorine-doped graphene quantum dots (Cl-GQDs) that can be used in solid-state white-light-emitting diodes (WLEDs). The Cl-GQDs with a mean size of 1.53 nm are obtained by one-step hydrothermal method using β-cyclodextrin and hydrochloric acid as the source materials. The PL emission spectra of the Cl-GQDs show an excitation-wavelength-dependent behavior in the range from 300 to 380 nm excitation. Under UV irradiation, the Cl-GQDs can direct emit white light. Given that they are worth using in light-conversion, Cl-GQDs embedded solid composite film (Cl-ESCF), based on silicon resin as host material, is successfully fabricated by solution-processing approach. The freestanding Cl-ESCF has high transparency and flexibility, excellent photostability and temperature resistance, and retains its optical properties in the solid state. In order to realize its potential, the Cl-ESCF converted remote UV-pumped WLED is demonstrated. The results verify that the Cl-GQDs can be homogeneously dispersed within solid matrix without obvious aggregation so that a uniform and defect-free natural white light can be obtained. In addition, our WLED possesses favorable white-light characters with the CIE of (0.33, 0.34), moderate CCT of 5653 K, and high CRI of 87.6, as well as good color and LED stability. This single-phase rare-earth-free white-luminescent Cl-GQDs may be not only expected to prevent the drawbacks of multicolor phosphors, thereby generating high-quality white emission, but also identified to be a green alternative for conventional emitters.

CAS / MDL: 7585-39-9 7647-01-0
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CHEMISTRY OF MATERIALS · 2018 · IF 9.89

Synergetic Effect of Postsynthetic Water Treatment on the Enhanced Photoluminescence and Stability of CsPbX3 (X = Cl, Br, I) Perovskite Nanocrystals

Ying Liu,Fei Li,Quanlin Liu,Zhiguo Xia

All inorganic cesium lead halide CsPbX3 (X = Cl, Br, I) perovskite nanocrystals (NCs) are generally considered to be sensitive and even decompose when exposed to ambient humidity. Herein, we perform a well-controlled investigation of the effect of postsynthetic water treatment of the as-prepared CsPbX3 NCs on the photoluminescence quantum yields (PLQYs) and stability, and one can find that the surface defective layer of CsPbX3 NCs can be dissolved into water and we can further separate the supernatant CsPbX3 NCs hexane solution from the water, which improves the PLQYs of CsPbCl3, CsPbBr3, CsPbI3 from 5%, 69.3%, 68.1% to 78.5%, 95.5%, 91%, respectively. As a synergetic effect, a trace amount of residual water facilitated the hydrolysis of tetramethyl orthosilicate, leading to the formation of SiO2-coated CsPbX3 NCs with high stability. The stable green-emitting CsPbBr3/SiO2 composite is used as an example to combine with red K2SiF6:Mn4+ to fabricate the light-emitting diodes device on the blue InGaN chip, which displays wide color gamut (128% of National Television Standard Committee standard), providing the possibility for liquid-crystal display backlight utilization.

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JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS · 2023 ·Vol. 34 ·期 6 ·1-10 · IF 2.8

High-performance Ag nanowires synthesized via the synergy of Cl−and Br− in mixed PVP system for transparent conductive electrodes

Zhou Jintao,Zang Yue,Wang Yu,Chu Liang,Li Guodong,Xu Rui,Yan Wensheng

Silver nanowires have great development potential in the field of transparent electrodes, and their optoelectronic properties are closely related to the morphology and composition. During the synthesis of polyol method, the aspect ratio of AgNWs can be tailored using PVP with different molecular weights, and the diameter of AgNWs can be tuned by incorporating halides. Here, the synergistic effect of Cl − and Br − in the mixed PVP system were deeply investigated by adjusting the concentration ratio of Cl − and Br − . The growth mechanism of silver nanowires was studied by monitoring the acidity of the reaction process. It was found that under the assistance of PVP with different molecular weights, the coordination of Cl − and Br − greatly increased the activation energy of the reaction, which played a key role in the nucleation and growth of AgNWs. As a result, high-quality AgNWs with an average length of 35.7 μm and an average diameter of 67 nm were synthesized at the optimized concentration ratio of Cl − and Br − . Finally, the synthesized silver nanowires were deposited as conductive films on glass to obtain high-performance transparent electrode with a sheet resistance of 22.38 Ω/sq and transmittance of 83.95%.

CAS / MDL: 25249-54-1 9003-39-8
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CERAMICS INTERNATIONAL · 2022 · IF 5.532

Construction of carbon dots modified Cl-doped Bi2WO6 hollow microspheres for boosting photocatalytic degradation of tetracycline under visible light irradiation

Fanyong Yan,Yao Wang,Chunhui Yi,Jinxia Xu,Bowei Wang,Ran Ma,Ming Xu

The composition of composite photocatalysts with both broad spectral response and efficacious separation of photoinduced carriers were essential. The CDs were installed on the surface of the three-dimensional hollow microsphere nanophotocatalyst Bi 2 WO 6 by the hydrothermal approach. Crystal structure, morphology and composition revealed the synthesis of the composite catalyst. The higher photocatalytic capability of 0.5% CDs/Cl–Bi 2 WO 6 (0.0317 min −1 ) was observed in the degradation procedure, explained that the doping of Cl and the presence of CDs remarkably strengthened the visible light capture and depressed the rate of electron-hole pair complexation. Notably, scavenger-quenching assays results verified that activities of h + , •OH and •O 2 ‾ were the primary actors in the degradation procedure. Ultimately, the degradation mechanism of a feasible TCH was submitted. This study presented a novel concept for the exploitation of composite nanophotocatalysts for the effective degradation of organic pollutants.

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CERAMICS INTERNATIONAL · 2022 · IF 5.532

All-inorganic halide perovskite (CsPbX3, X=Cl, Br, I) quantum dots synthesized via fast anion hot injection by using trimethylhalosilanes

Zhangwen Long,Shuai Yang,Jiacheng Pi,Dacheng Zhou,Qi Wang,Yong Yang,Hao Wu,Jianbei Qiu

All-inorganic metal halides perovskites , such as CsPbX 3 quantum dots (QDs), are high-performance photoelectric materials ; they have attracted considerable attention for applications such as LEDs and laser and solar cells. Herein, we report an anion hot injection (HI) method to prepare CsPbX 3 (X = Cl, Br, I, Cl/Br, and Br/I) QDs using trimethylhalosilane (TMXS) as a halogen ion donor. By adjusting the ratio of different TMXSs (trimethylchlorosilane, trimethylbromosilane, and trimethyliodosilane), the synthesized samples can achieve tunable emission in the range of 416–710 nm, narrow emission line widths of 13–33 nm, and luminescence lifetimes of 32–223 ns. These QDs also have better stability in external environment compared with those obtained using traditional HI method.

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WATER RESEARCH · 2022 · IF 13.4

Reactive species conversion into 1O2 promotes substantial inhibition of chlorinated byproduct formation during electrooxidation of phenols in Cl−-laden wastewater

Wenxiao Zheng,Yingkai Chen,Hengyi Fu,Zhang Yan,Zhenchao Lei,Weijian Duan,Chunhua Feng

The generation of chlorinated byproducts during the electrochemical oxidation (EO) of Cl − -laden wastewater is a significant concern. We aim to propose a concept of converting reactive species (e.g., reactive chlorines and HO • resulting from electrolysis) into 1 O 2 via the addition of H 2 O 2 , which substantially alleviates chlorinated organic formation. When phenol was used as a model organic compound, the results showed that the H 2 O 2 -involving EO system outperformed the H 2 O 2 -absent system in terms of higher rate constants (5.95 × 10 −2 min −1 vs. 2.97 × 10 −2 min −1 ) and a much lower accumulation of total organic chlorinated products (1.42 mg L −1 vs. 8.18 mg L −1 ) during a 60 min operation. The rate constants of disappearance of a variety of phenolic compounds were positively correlated with the Hammett constants ( σ ), suggesting that the reactive species preferred oxidizing phenols with electron-rich groups. After the identification of 1 O 2 that was abundant in the bulk solution with the use of electron paramagnetic resonance and computational kinetic simulation, the routes of 1 O 2 generation were revealed. Despite the consensus as to the contribution of reaction between H 2 O 2 and ClO − to 1 O 2 formation, we conclude that the predominant pathway is through H 2 O 2 reaction with electrogenerated HO • or chlorine radicals (Cl • and Cl 2 • − ) to produce O 2 • − , followed by self-combination. Density functional theory calculations theoretically showed the difficulty in forming chlorinated byproducts for the 1 O 2 -initiated phenol oxidation in the presence of Cl − , which, by contrast, easily occurred for the Cl • -or HO • -initiated phenol reaction. The experiments run with real coking wastewater containing high-concentration phenols further demonstrated the superiority of the H 2 O 2 -involving EO system. The findings imply that this unique method for treating Cl − -laden organic wastewater is expected to be widely adopted for generalizing EO technology for environmental applications.

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