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CHINESE CHEMICAL LETTERS · 2014 · IF 1.178

Selective hydrogenation of unprotected indole to indoline over N-doped carbon supported palladium catalyst

Dong-Shun Deng,Guo-Qiang Han,Xiao Zhu,Xuan Xu,Yu-Tong Gong,Yong Wang

Mesoporous N-doped carbon supported palladium catalyst Pd@CN 0.132 was able to efficiently catalyze unprotected indole to indoline under mild conditions. In the aqueous system, a selectivity of 100% and conversion of 96% was achieved under 313   K and atmospheric hydrogen gas.

研究领域: 催化 · 有机化学 · 材料科学
✓ 已验证 DOI 高影响因子
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JOURNAL OF ALLOYS AND COMPOUNDS · 2021 · IF 5.316

AMoO3(IO3) (A = Na and K): Two promising optical materials via properly assembling the Λ-shaped basic building units

Jin Chen,Chun-Li Hu,Yi-Lin Li,Qian-Qian Chen,Bing-Xuan Li,Jiang-Gao Mao

Herein, we reported two alkali metal molybdenum(VI) iodates, namely, NaMoO 3 (IO 3 ) and γ-KMoO 3 (IO 3 ) with 1D and 3D [MoO 3 (IO 3 )] − anionic architectures, respectively. The novel 1D chain in NaMoO 3 (IO 3 ) and the 3D network in γ-KMoO 3 (IO 3 ) are constructed by the 0D Λ-shaped cis -[MoO 4 (IO 3 ) 2 ] 4− building units interconnected by bridging IO 3 − anions as well as the corner-sharing of oxo anions. Importantly, the polar γ-KMoO 3 (IO 3 ) exhibits a very large second-harmonic generation (SHG) effect of 12 × KH 2 PO 4 (KDP) under 1064 nm laser radiation, a high laser-Induced damage threshold value (52 × AgGaS 2 ), and a moderate birefringence of 0.087@1064 nm, whereas the centrosymmetric NaMoO 3 (IO 3 ) has a large birefringence of 0.208@1064 nm. This study further proves the useful route of exploring promising optical materials via assembling the 0D basic building units into higher dimensional anionic architectures.

研究领域: 无机化学 · 材料科学 · 光学
✓ 已验证 DOI 高影响因子
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2021 · IF 2.694

Solubility Measurement and Data Correlation of Pentaerythritol in Four Binary Solvent Systems at Temperatures from 283.15 to 323.15 K

Shaonan Zhang,Ningning Tian,Shengzhe Jia,Jing Yang,Yu Zhou,Shichao Du,Zhenguo Gao

The solubility of pentaerythritol (PE) in four binary solvents (methanol + water, ethanol + water, isopropanol + water, acetonitrile + water) is determined using the gravimetric method at temperatures ranging from 283.15 to 323.15 K under 0.1 MPa. The experimental results demonstrate that the solubility of PE increases with the increase of temperature in all four binary solvent systems. And water has a relatively positive effect on the solubility of PE in all four binary solvents. However, the solubility of PE in ethanol + water and isopropanol + water mixtures first increases with the increase of the ethanol/isopropanol fraction and then decreases when the temperature exceeds 303.15 and 288.15 K, respectively. And the solubility reaches the maximum when the initial mole fractions of ethanol/isopropanol of the binary solvent are 0.2. Besides, experimental solubility is fitted with three thermodynamic models including the modified Apelblat model, λh model, and CNIBS/R-K model, and all of the average relative deviation (ARDs) are less than 4%, indicating good accordance with the experimental results. In addition, among the three thermodynamic models, the CNIBS/R-K model has the best fitting performance, in which all of the ARDs are less than 1.7%.

研究领域: 化学工程 · 物理化学
✓ 已验证 DOI 高影响因子
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2020 · IF 2.888

Solubility determination and thermodynamic modelling of solid-liquid equilibria in the (NaCl + NaBO2 + Na2B4O7 + H2O) system at 298.15 K

Lele Chen,Xiuxiu Yang,Yafei Guo,Tianlong Deng,Dan Li,Lingzong Meng

The solubility corresponding solution physicochemical properties (densities, refractive indices and pH) in the quaternary system (NaCl + NaBO 2  + Na 2 B 4 O 7  + H 2 O) were investigated at 298.15 K by the isothermal dissolution equilibrium method. The dry-salt phase diagram, water content diagram, refractive index diagram and pH diagram were drawn. There are four crystallization fields corresponding to NaCl, NaBO 2 ·4H 2 O, Na 2 B 4 O 7 ·10H 2 O, NaCl·NaBO 2 ·2H 2 O, five univariant curves and two invariant points in the phase diagram of the quaternary system. The solubility, concentrations of boron species B(OH) 3 , B(OH) 4 − , B 3 O 3 (OH) 4 − , B 4 O 5 (OH) 4 2− and OH − in the system were calculated using the Pitzer model. The variation trends for calculated solubility curves and pH curves are consistent with the experimental results. The distributions of different boron species were obtained in the mixed borate solution. The distributions of four boron species were obtained in the mixed borate solution. The main boron species in the mixed borate solution are B(OH) 4 − and B 4 O 5 (OH) 4 2− . The mole fractions of the four boron species are mainly affected by m (B) in the solution but less by m (Cl − ).

研究领域: 化学热力学 · 无机化学
✓ 已验证 DOI 高影响因子
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Thermo-Acoustic Properties of (Ethanol + n-Heptane) Binary Mixtures from 293.35 to 433.89 K and up to 5.0 MPa

Ying Zhang,Taotao Zhan,Junshuai Chen,Xin Li,Qi Zhou,Maogang He

The experimental speeds of sound for the binary system of ethanol (1) + n-heptane (2) with the mole fractions of ethanol being (0.100, 0.300, 0.500, 0.700, and 0.900) were measured by Rayleigh-Brillouin light scattering spectroscopy at temperatures from 293.35 to 433.89 K along three isobaric lines from 0.1 to 5.0 MPa. The expanded relative uncertainty for the reported speed of sound is estimated to be 1.6% with the level of confidence of 0.95 (coverage factor k = 2). The experimental data were correlated as a function of temperature and pressure, yielding absolute average percentage deviations of 0.34, 0.20, 0.38, 0.28, and 0.29% for the mole fractions of ethanol being 0.100, 0.300, 0.500, 0.700, and 0.900, respectively. Within the temperature limits of 298.15–318.15 K, the derived thermo-acoustic properties for the binary system of ethanol (1) + n-heptane (2), including the density, the specific isobaric heat capacity, the isentropic compressibility, the isobaric thermal expansivity, the isothermal compressibility, the specific heat ratio, the internal pressure and the free volume at pressures up to 5.0 MPa, and the intermolecular free length under atmospheric pressure were calculated and analyzed.

研究领域: 物理化学 · 热力学
✓ 已验证 DOI 高影响因子
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FLUID PHASE EQUILIBRIA · 2014 · IF 2.241

Investigating thermodynamic properties of LiCl in amide–water mixtures with ɛ-increasing and ɛ-decreasing solvent at 298.15 K

Xuehong Zhao,Shu’ni Li,Quanguo Zhai,Yucheng Jiang,Mancheng Hu

This article deals with the mean activity coefficients of LiCl in amide–water mixtures with both ɛ -increasing co-solvent (urea–water, N -methylformamide–water), and ɛ -decreasing co-solvent ( N , N -dimethylformamide–water, N , N -dimethylacetamide–water) systems at 298.15   K by potentiometric method. Meanwhile, thermodynamic properties including the osmotic coefficients, the excess Gibbs free energy, the standard solubility product, the primary LiCl hydration number and the standard free energy of transference from water to the mixtures were also calculated. The nonideal behavior of these systems has been discussed in terms of the Pitzer, the Modified Pitzer and the extended Debye–Hückel equations parameters.

研究领域: 物理化学 · 溶液化学
✓ 已验证 DOI 高影响因子
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APPLIED PHYSICS LETTERS · 2022 ·Vol. 121 ·期 20 · IF 3.971

Tuning room-temperature TCR of La0.7K0.3−xSrxMnO3 (0.00 ≤ x ≤ 0.3) films by K and Sr co-occupying A-site

Guan Xiaoli,Li Hongjiang,Yu Zhiyuan,Yu Xiaohan,Jin Shuaizhao,Gu Xin,Liu Xiang

A series of La 0.7 K 0.3− x Sr x MnO 3 (0.00 ≤  x  ≤   0.3) films were fabricated on LaAlO 3 substrates using a sol-gel spin-coating technique. The relationship between electrical transport properties and a microstructure was explained via the Jahn–Teller effect, a phenomenological percolation model, and a double-exchange mechanism. The results revealed the strong impact of K and Sr co-occupying A-sites on the formation of Mn 3+ /Mn 4+ pairs, crystal structure, conductivity, surface morphology, and in-plane and out-of-plane strains. The as-fabricated La 0.7 K 0.25 Sr 0.05 MnO 3 films showed a peak temperature coefficient of resistivity of 16.63% K −1 at 298.3 K.

研究领域: 材料科学 · 凝聚态物理
✓ 已验证 DOI 高影响因子
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JOURNAL OF SOLUTION CHEMISTRY · 2017 ·Vol. 46 ·期 9 ·1767-1777 · IF 1.342

Water Activity and Solubility Measurements and Pitzer Model Simulation of the MgCl2–RbCl–H2O Ternary System at 298.15 K

Guo Lijiang,Wang Yaxiao,Tu Lanying,Li Jianqiang

Water activities for the MgCl 2 –RbCl–H 2 O ternary system and its sub-binary MgCl 2 –H 2 O and RbCl–H 2 O systems at 298.15 K have been measured using the isopiestic method. The measured results for the binary systems agree well with literature data. The measured equal water activity lines for the MgCl 2 –RbCl–H 2 O ternary system deviate from Zdanovskii’s rule. The solubilities for the MgCl 2 –RbCl–H 2 O ternary system also have been measured using a isothermal visual first/last crystal method, and the results are consistent with one reported set of solubility data. Pitzer’s model was selected to correlate the measured water activity and solubility data and the parameters reported in the literature are re-examined by comparing the model-calculated equal water activity lines and solubilities with experimental values measured in this work. New and reasonable parameters are obtained by fitting the water activity and solubility data measured in this work and those reported in the literature. The water activities and solubilities were simulated with the new parameters and the results show that the Pitzer model can successfully represent the thermodynamic properties and be used to calculate the solubility isotherms.

研究领域: 化学热力学 · 物理化学
✓ 已验证 DOI 高影响因子
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JOURNAL OF SOLUTION CHEMISTRY · 2013 ·Vol. 42 ·期 9 ·1782-1793 · IF 1.128

Activity Coefficient Determination for the Ternary Systems CsCl in N-Methylformamide or Urea + Water Mixtures at T = 298.15 K

Lu Jia,Li Shu’ni,Zhai Quanguo,Jiang Yucheng,Hu Mancheng

The mean activity coefficients for CsCl in N -methylformamide or urea ( w ) + H 2 O (1 −  w ) systems were determined in this work by potentiometry, using ion-selective electrodes at 298.15 K. The value of mass fraction w was varied between 0.00 and 0.40 in five unit-steps and the molality of CsCl was between 0.0020 and 1.4009 mol·kg −1 . The experimental data have been correlated with the Pitzer, modified Pitzer and the extended Debye–Hückel equations. The resulting values of the mean activity coefficients, the osmotic coefficients and the standard Gibbs energy of transfer, together with the Pitzer ion-interaction parameters ( β (0) , β (1) and C φ ), extended Debye–Hückel parameters ( a , c and d ), and modified Pitzer parameters ( b , B MX , C MX ) are reported for the investigated systems.

研究领域: 化学 · 物理化学
✓ 已验证 DOI 高影响因子
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Journal of Materials Chemistry C · 2019 ·Vol. 7 ·期 30 ·9203-9210 · IF 6.641

Non-equivalent Mn4+ doping into A2NaScF6 (A = K, Rb, Cs) hosts toward short fluorescence lifetime for backlight display application

Y. Y. Zhou,E. H. Song,M. G. Brik,Y. J. Wang,T. Hu,Z. G. Xia,Q. Y. Zhang

Mn4+-doped fluoride red-emitting phosphors have been developed for backlighting white light-emitting diodes (WLEDs). However, the long fluorescence lifetime (τ > 5 ms) leads to the image-retention phenomenon for the human eye when Mn4+ is doped into equivalent X sites in A2XF6 (A = Na, K, Rb, Cs; X = Si, Ge, Ti, Zr). Herein, we report on novel red-emitting A2NaScF6:Mn4+ (A = K, Rb, Cs) (ANSF) phosphors with short fluorescence lifetimes (τ < 4 ms) and characteristic zero phonon line (ZPL) emission, which can be realized via non-equivalent doping of Mn4+ into Sc3+ sites. Density functional theory (DFT) calculations verified the formation of a slightly distorted environment of Mn4+ and an Na+ vacancy to balance the charge with Mn4+ non-equivalent doping. The WLED backlight using ANSF as a red-light component can reach a wide color gamut above 105% of the National Television Standards Committee (NTSC) standard, and the image-retention on the backlighted screen can be effectively avoided compared to the backlight obtained using commercial K2SiF6:Mn4+. Such a Mn4+ non-equivalent doping strategy opens a new perspective for the modification of local symmetry and enhancement of the luminescence properties of Mn4+-doped red-emitting fluoride phosphors.

研究领域: 材料科学 · 光学工程
✓ 已验证 DOI 高影响因子
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Solubility Behavior and Thermodynamic Modeling of Inosine (Form β) in Four Cosolvency Systems at T = 278.15 to 323.15 K

Yuli Shi,Haojian Zhang,Xiaodong Wang

N,N-Dimethylformamide (DMF) as the main solvent with strong dissolving power was blended with four secondary solvents (ethanol, n-propanol, isopropanol, and propylene glycol) with relatively weak dissolving power to form many new solvents. The dispersion index (inosine (form β) mole fraction) in five organic solvents such as DMF and in the newly formed solvent was also obtained one by one with the static method commonly used in solid–liquid equilibrium. The temperature environment includes the high temperature set at 323.15 K, the low temperature set at 278.15 K, and an interval between each temperature of 5 K. The pressure environment was the atmospheric pressure in the natural state, and the usual value was 101.0 kPa. In a mixed system, temperature was a non-negligible influencing factor from beginning to end, and its increase often led the solute to the trend of high solubility. In addition, the proportion of the main solvent also dominated the solubilization trend of the inosine (form β); the larger the proportion of DMF, the easier the dissolution process. When both of the above factors were fixed at a certain point, the dispersing ability of the dispersing liquid composed of DMF and ethanol was undoubtedly the first. Three models (Jouyban–Acree model, van’t Hoff–Jouyban–Acree model, and modified Apelblat–Jouyban–Acree model) were used to correlate the solubility data. The largest relative average deviation and root-mean-square deviation values were 4.66 × 10–2 and 7.27 × 10–4, respectively. The dispersion data of inosine (form β) obtained through this experimental process and related thermodynamic parameters obtained through thermodynamic calculations have important application significance for its industrial production and further purification.

研究领域: 药学 · 化学工程 · 生物化学
✓ 已验证 DOI 高影响因子
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FLUID PHASE EQUILIBRIA · 2014 · IF 2.241

Solid–liquid equilibrium of ternary system sodium 1-naphthalenesulfonate + sodium 2-naphthalenesulfonate + water at (283.15, 303.15 and 323.15) K

Rongrong Li,Guobo Huang,Huanan Hu,Chenghong Li,Wenping Jia

In this work, solid–liquid equilibria (SLE) data for ternary sodium 1-naphthalenesulfonate   +   sodium 2-naphthalenesulfonate   +   water system was measured at (283.15, 303.15 and 323.15)   K respectively. The diagrams for solid liquid phase of the ternary system were well-established by the measured solubility data. The solid phases formed in the studied system were determined by the method of Schreinemaker’s wet residue. Moreover, the density of equilibrium liquid phase was gained in the process. At each temperature, there are two pure solids forming. They are sodium 1-naphthalenesulfonate and sodium 2-naphthalenesulfonate in the ternary system. The solubility data for the ternary system were calculated and regressed by NRTL model, giving acceptable results for the investigated systems.

研究领域: 化学热力学 · 物理化学
✓ 已验证 DOI 高影响因子
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