JOURNAL OF CHEMICAL RESEARCH
·
2017
·
IF 0.646
Xiaoyun Ma,Jun Ao,Zhengjian Chen,Yi Liu
A mild one-pot method for the direct conversion of aryl, heteroaryl and alkyl aldehydes into nitriles was achieved by forming the corresponding oximes in situ with NH2OH and allowing them to react with CuO and acetonitrile. Yields of the 13 nitriles prepared were moderate to very good (62–91%).
研究领域:
有机化学
·
催化反应
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2024
·
IF 2
Kun Yue,Jiani Lu,Peiyu Chen,Shaonan Gu,Guowei Zhou
Vapor–liquid equilibrium (VLE) data for the ternary system of acetonitrile + ethanol + ionic liquids (ILs) were obtained at 101.3 kPa, and used ILs were 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([BMIM][NTf2]), 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf2]), and 1-butyl-3-methylimidazolium diethylphosphate ([BMIM][DEP]). The nonrandom two-liquid (NRTL) model was used to correlate the VLE data and fitted well, indicating that the minimum mole fractions of [BMIM][NTf2], [EMIM][NTf2], and [BMIM][DEP] to eliminate the azeotrope was 0.053, 0.063, and 0.065, respectively. These ILs led to an outstanding “salting-in” effect on ethanol, and the salting effect on acetonitrile was inapparent. Higher concentrations of ILs signified a stronger salt effect as well as higher equilibrium temperatures. The results indicated that [BMIM][NTf2], [EMIM][NTf2], and [BMIM][DEP] could be used as good candidate entrainers to separate acetonitrile and ethanol in extractive distillation.
研究领域:
化学工程
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
·
2021
·
IF 7.963
Han Chen,Tao Lin,Xiaoshu Yan,Hang Xu
The formation of haloacetonitriles (HANs) during chlorination after sulfite/ultraviolet (UV) treatment of bromate (BrO 3 − ) in the presence of amino acids (AAs) was investigated. During sulfite/UV treatment, the primary species hydrated electrons (e aq − ) and hydrogen atom radicals (H ) dominated the reduction of BrO 3 − to bromide (Br − ), whereas the sulfite anion radicals (SO 3 − ) and H degraded AAs to produce the intermediates HN=C(CH 3 )–COOH, CH 3 –CH=NH, and CH 3 –C≡N via α‑hydrogen abstraction and NH 2 –hydrogen abstraction mechanisms. During post-chlorination, Br − was converted to HBrO/BrO-, and the HN=C(CH 3 )–COOH, CH 3 –CH=NH, and CH 3 –C≡N groups featured higher bromine utilization factor (BUF) and chlorine utilization factor (CUF) values than AAs, enhancing the formation of dibromoacetonitrile (DBAN) and dichloroacetonitrile (DCAN). The energetic feasibility of the transformation pathway, that is, HN=C(CH 3 )–COOH, CH 3 –CH=NH, and CH 3 –C ≡ N formation via hydrogen abstraction by SO 3 − and H and their further conversion to HANs, was proved by density functional theory calculations, which showed stepwise negative Gibbs free energy changes (ΔG < 0). The effects of pH and water matrices (e.g., HCO 3 − , Cl − , Fe 3+ , and natural organic matter) were comprehensively evaluated. Although 72% of BrO 3 − was removed by sulfite/UV treatment in the presence of AAs, the cytotoxicity index (CTI) and genotoxicity index (GTI) during post-chlorination increased by 213% and 125%, respectively, due to the formation of 24 CX 3 R-type disinfection by-products (DBPs), especially brominated DBPs. Accordingly, more attention should be given to the formation of brominated DBPs during post-chlorination when using sulfite/UV processes to remove BrO 3 − in the presence of AAs. As a solution, using monochloramine instead of chlorine as a disinfectant after the sulfite/UV process could significantly lower the CTI and GTI values by alleviating the formation of brominated DBPs.
研究领域:
环境科学
·
水处理
·
化学工程
·
毒理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
APPLIED ORGANOMETALLIC CHEMISTRY
·
2020
·Vol. 35
·期 1
·e6073
·
IF 3.14
Jianyu Dong,Xiuling Chen,Fangyan Ji,Lixin Liu,Lebin Su,Min Mo,Jian-Sheng Tang,Yongbo Zhou
A simple and direct aerobic oxidative esterification reaction of arylacetonitriles with alcohols/phenols is achieved in the presence of a copper salt and molecular oxygen, which produces a broad range of aryl carboxylic acid esters in good to high yields. Copper salt plays multiple roles in the transformation, which allows the oxygenation of C H bond, cleavage of inert C C bond, and formation of C O bond in one pot without the assistance of any of the acids, bases, ligands, and so on. The reaction provides a simple, direct, and efficient protocol towards functionalized esters, especially aryl benzoates, from readily available starting materials.
研究领域:
有机化学
·
合成化学
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2020
·
IF 5.065
Zhenguo Dou,Ying Wang,Wenhui Fang,Chenglin Sun,Zhiwei Men
Raman spectra of acetonitrile (CH 3 CN)–sodium perchlorate (NaClO 4 ) mixture solutions at different concentrations and temperatures have been studied. It was suggested that the shifts and intensities of Raman modes of CH 3 CN varied significantly due a novel Fermi resonance (FR) was formed between the ν 2 ′ and ( ν 3 + ν 4 )′ bands of CH 3 CN-Na + complex. The phase transition underwent from the liquid to solid phase β at 223 K, and from β to α at 213 K, which were induced by the strong cationic-molecule interaction. In addition, the impact of Na + on FR was discussed by the FR parameters at different concentrations and temperatures.
研究领域:
物理化学
·
分子光谱学
✓ 已验证
产品关联
DOI
高影响因子
TALANTA
·
2016
·
IF 4.035
Qiang Chen,Junfeng Zuo,Xue He,Xiujuan Mo,Ping Tong,Lan Zhang
In this paper, a simple, rapid and sensitive fluorescence method based on the formation of terbium (Tb 3+ ) complex has been developed for the rapid detection of Tb 3+ in water. The fluorescence sensor has been studied by using terbium complexed with thiabendazole (TBZ) while acetonitrile (MeCN) as solvent. The complex was made up of TBZ as small-molecule ligand and Tb 3+ as central ion. Fluorescence spectroscopy and UV spectroscopy together were used to study the behavior of the complexation of TBZ-Tb in this medium. Enhancement fluorescence was observed due to the efficient energy transfer process from TBZ to Tb 3+ . And the affecting factors of the enhancement fluorescence were also studied in detail. Under optimal conditions, a linear relationship was obtained between the enhanced fluorescence intensity and the concentration of Tb 3+ in a range of 5.0×10 −6 M–3.0×10 −5 M. The sensor was used for the detection of Tb 3+ in river water samples, and the result was satisfactory. In the meantime, a linear relationship was also obtained between the enhanced fluorescence intensity and the concentration of TBZ in a range of 8.0×10 −6 M–4.0×10 −5 M. Moreover, the method was successfully extended for the detection of TBZ in juice samples.
研究领域:
分析化学
·
环境科学
✓ 已验证
DOI
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
·
2018
·
IF 6.434
Hong-cheng Fan,Jing Yu,Rong-ping Chen,Lei Yu
A novel bioflocculant, A-GS408, produced by Klebsiella oxytoca GS-4-08 cultured in acetonitrile (ACN) as sole nitrogen source was investigated in this study. A complete degradation of 1 g l −1 of ACN was achieved in 350 h, and 4.6 g of crude A-GS408 can be obtained in one litter of synthetic medium. The as-prepared bioflocculant exhibits good flocculation efficiency (over 90%) toward Kaolin solution with the aid of Fe 3+ . Chemical analysis showed that the bioflocculant was mainly composed of polysaccharides (46.3%) and proteins (20.6%). FTIR and XPS results indicated the abundant carboxyl, amine and hydroxyl groups in A-GS408 s, which play an important role on Pd 2+ and Cu 2+ adsorption. The adsorption of heavy metals can be well stimulated by Freundlich isotherm equation, and the K f was up to 439.2 mg 1-1/n l 1/n g −1 and 112.2 mg 1-1/n l 1/n g −1 for Pb 2+ and Cu 2+ , respectively. The kinetic fitting results proved that the adsorption of heavy metals by A-GS408 was chemisorption. This study may provide a new method for preparation of bioflocculant, which can not only degrade toxic compound i . e ., acetonitrile, but also can reuse considerable nitrogen source from nitrile-containing wastewater.
研究领域:
环境生物学
·
微生物学
✓ 已验证
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2019
·
IF 3.375
Jinlong Li,Tingting Li,Changjun Peng,Honglai Liu
Ionic liquids (ILs) of 1-ethyl-3-methylimidazolium acetate ([EMIM][OAC]), 1-ethyl-3-methylimidazolium proline ([EMIM][PRO]), and N,N,N-dimethyl-butylethanol amine glycolic acid ([N1,1,4C2OH][GAC]) are selected as entrainers for the extractive distillation to separate the mixture of acetonitrile and water based on the COSMO-RS method. The isobaric vapor–liquid equilibrium of ternary mixtures containing ILs at atmospheric pressure is determined, verifying that the used ILs can break the azeotropy of acetonitrile and water. On the basis of the thermodynamic analysis, a typical extractive distillation process is designed with Aspen Plus to evaluate the competitiveness of IL entrainers in separation performance. Significant savings of entrainer and energy, in which the solvent ratios in moles reduce from 0.94 to 0.09, 0.12, and 0.12 and the overall heat duties on the reboiler decrease 24.9, 17.5, and 15.4% for [EMIM][OAC], [EMIM][PRO], and [N1,1,4C2OH][GAC], respectively, can be achieved compared with those of ethylene glycol used as the entrainer.
研究领域:
化学工程
·
分离技术
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Xihua Wei,Ou He,Yucong Jiang,DongPing Shen,Lianzhong Zhang
Performance of some novel mixed solvents as entrainers was tested for acetonitrile dehydration by extractive distillation. The mixed solvents are composed of ethylene glycol (EG) and choline chloride (ChCl) (EG + ChCl 8:1, EG + ChCl 4:1, EG + ChCl 2:1, and EG + ChCl 4:3), ethylene glycol (EG) and glycerol (EG + glycerol 1:1, EG + glycerol 1:2, EG + glycerol 1:4, and EG + glycerol 1:6), and dimethyl sulfoxide (DMSO) and ChCl (DMSO + ChCl 14:1). Isobaric vapor–liquid equilibrium (VLE) data were measured at 101.3 kPa and at a solvent-free acetonitrile mole fraction of 0.95 for the quaternary systems of water + acetonitrile + EG + ChCl, water + acetonitrile + EG + glycerol, and water + acetonitrile + DMSO + ChCl and for the ternary system of water + acetonitrile + DMSO. The NRTL equation was used for the correlation of the experimental VLE data. For all the three quaternary systems and one ternary system, the mean absolute deviations of equilibrium temperature were no more than 0.33 K, and the mean absolute deviations of water and acetonitrile vapor phase mole fractions were no more than 0.0026 and 0.0047, respectively. The mixed solvent EG + ChCl 4:3, which is also a deep eutectic solvent, showed favorable solvent performance. The azeotrope of water + acetonitrile can be removed at a solvent mass fraction of 0.212 or a solvent mole fraction of 0.104. This amount is less than that of EG (0.367 in mass fraction and 0.227 in mole fraction), EG + glycerol 1:6 (0.341 in mass fraction and 0.195 in mole fraction), and DMSO + ChCl 14:1 (0.266 in mass fraction and 0.153 in mole fraction).
研究领域:
化学工程
·
分离科学
✓ 已验证
产品关联
DOI
高影响因子
SCIENCE OF THE TOTAL ENVIRONMENT
·
2024
·
IF 8.2
Rui Yu,Yunkun Qian,Yanan Chen,Yijun Shi,Jun Guo,Dong An
Dichloroacetonitrile (DCAN) is an emerging disinfection by-product (DBP) that is widespread in drinking water. However, the pathway for DCAN formation from aromatic amino acids remains unclear, leading to a lack of an understanding of its explicit fate during chloramination. In this study, we investigated the specific formation mechanism of DCAN during the chloramination of phenylalanine based on reaction kinetics and chemical thermodynamics. The reason for differences between aldehyde and decarboxylation pathways was explained, and kinetic parameters of the pathways were obtained through quantum chemistry calculations. The results showed that the reaction rate constant of the rate-limiting step of the aldehyde pathway with 1.9 × 10 −11 s −1 was significantly higher than that of decarboxylation (3.6 × 10 −16 s −1 M −1 ), suggesting that the aldehyde pathway is the main reaction pathway for DCAN formation during the chloramination of phenylalanine to produce DCAN. Subsequently, theoretical calculations were performed to elucidate the effect of pH on the formation mechanism, which aligned well with the experimental results. Dehydrohalogenation was found to be the rate-limiting step under acidic conditions with reaction rate constants higher than those of the rate-limiting step (expulsion of amines) under neutral conditions, increasing the rate of DCAN formation. This study highlights the differences in DCAN formation between the decarboxylation and aldehyde pathways during the chloramination of precursors at both molecular and kinetic levels, contributing to a comprehensive understanding of the reaction mechanisms by which aromatic free amino acids generate DCAN.
研究领域:
环境科学
·
化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Materials Chemistry C
·
2025
·
IF 5.1
Kunpeng Mou,Xiaoxi Feng,Fangxiong Tang,Wenzhen Wang,Xudong Tang,Yongning Liu,Benlan Zeng,Sirui Bao,Minghao Cui,Jianing Hu,Huaxing Gou,Yan Zhu,Jinkun Liu,Run Xu
It is of great importance to choose a suitable solvent for the growth of high-quality CsPbBr3 single crystals. Here, by introducing acetonitrile (ACN) to the mixture of dimethyl sulfoxide (DMSO) and dimethylformamide (DMF) solvents, the solubility curve of CsPbBr3 exhibits a monotonic decrease in the temperature range of 20–80 °C, which can reduce the growth temperature to around 45 °C. Besides, the addition of ACN significantly increased the yield of single crystals to 38.71%. The quality of CsPbBr3 single crystals grown in the DMSO/DMF/ACN precursor was improved, evidenced by a full width at half maxima (FWHM) of 0.035° in the X-Ray rocking curve of (100) and the absence of secondary phase inside the crystal from the infrared image. A μτ value of 2.57 × 10−4 cm2 V−1 from the corresponding devices can be achieved, comparable to that of crystals grown by the melt method. Our work here provides a promising solution recipe for the preparation of high-quality CsPbBr3 single crystals.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
KOREAN JOURNAL OF CHEMICAL ENGINEERING
·
2016
·Vol. 33
·期 8
·2460-2468
·
IF 1.408
Wang Jun,Song Hao,Yang Xuzhao,Zou Wenyuan,Chen Yufei,Duan Shaochan,Sun Jun
The density, viscosity, and refractive index of a pure asymmetrical dicationic ionic liquid, 1-(1-methypiperidinium-1-yl) pentane-(1-pyridinium) bis(trifluoromethane)sulfonamide, and its binary mixtures with acetonitrile were investigated at temperatures from 293.15 K to 323.15 K over the entire range of composition at ambient pressure. From the experimental data, the excess molar volumes, dynamic viscosity deviations, and refractive index deviations were, respectively,calculated and correlated with Redlich-Kister-type polynomials. The temperature dependence of viscosity for pure ionic liquid was described by modified Vogel–Tammann-Fulcher (VTF) equation. The enthalpy and entropy of activation for viscous flow were obtained. The values of molar refraction and polarizability indicated that the dominant interactions between ionic liquids and acetonitrile were dipole-dipole molecular interactions. These thermodynamic properties were discussed in terms of nature of molecular interactions between the ionic liquid and acetonitrile.
研究领域:
物理化学
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）