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A 3-D Selected Solvent Large Aperture MOF
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作者 火苗 杨文斌 +2 位作者 吴小园 卢灿忠 林琅 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第10期1568-1573,共6页
The metal-organic framework(MOF){[Cu(L1)_(0.5)(CN)]·4H_2O·3DMSO}_n(1) was assembled by 1,4-bis(3?,5?-dicyano-2?,6?-di(pyrid-4-yl)-1?,4?-dihydropyridyl)benzene(L1) together with copper c... The metal-organic framework(MOF){[Cu(L1)_(0.5)(CN)]·4H_2O·3DMSO}_n(1) was assembled by 1,4-bis(3?,5?-dicyano-2?,6?-di(pyrid-4-yl)-1?,4?-dihydropyridyl)benzene(L1) together with copper cyanide at room temperature. In 1,the Cu~+ ions are linked by CN-anions into a 1D helical chain,which is further fused together by tetradentate L1 ligands to build an extended 3D porous framework with two different types of functionalized channels. 1 crystallizes in the monoclinic,space group P21/c with a = 17.8729(6),b = 8.7298(3),c = 22.7524(9) ?,β = 96.072(4)o,V = 3530.1(2) ?~3,μ = 0.845 mm-1,Dc = 1.352 Mg/m^3,Z = 4,Mr = 718.35,F(000) = 1500,S = 1.081,the final R = 0.0877 and wR = 0.2275 for 6975 observed reflections with I 〉 2σ(I). 展开更多
关键词 four-coordinate Cu(Ⅰ) complex crystal structure selected solvent
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Synthesis and Crystal Structure of a New Charge-assisted Hydrogen-bonded Host Framework [Co(en)_3]_2[Zr_2(C_2O_4)_7]·2H_2O
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作者 韩义德 张婧 +2 位作者 刘宁宁 王宇 张霞 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第3期435-440,共6页
Using the deep eutectic solvent formed of oxalic acid and choline chloride, a new charge-assisted hydrogen-bonded host framework [Co(en)312[Zr2(C2O4)7]·2H2O (1) has been obtained. The title complex crystall... Using the deep eutectic solvent formed of oxalic acid and choline chloride, a new charge-assisted hydrogen-bonded host framework [Co(en)312[Zr2(C2O4)7]·2H2O (1) has been obtained. The title complex crystallizes in the monoclinic, space group P21/n (No. 14) with a = 7.7448(10), b = 14.5683(19), c = 19.375(3) A, fl = 92.124(2)°, V= 2184.5(5) A3, Z = 4, Dc = 1.996 gcm-3, F(000) = 1332, μ = 1.328 mm"1, R = 0.0353 and wR = 0.0718 (1 〉 2α(I)). Single-crystal structure analysis reveals that the title complex possesses a 3D network assembled through a multitude of charge-assisted hydrogen bonds between the in situ generated anionic coordination complexes [Zr2(C204)7]6- and metal complexes Co(en)33+. 展开更多
关键词 deep-eutectic solvent metal complex hydrogen-bonded host framework
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Ion–solvent chemistry in lithium battery electrolytes: From mono-solvent to multi-solvent complexes 被引量:6
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作者 Xiang Chen Nan Yao +1 位作者 Bo-Shen Zeng Qiang Zhang 《Fundamental Research》 CAS 2021年第4期393-398,共6页
The building of safe and high energy-density lithium batteries is strongly dependent on the electrochemical performance of working electrolytes, in which ion–solvent interactions play a vital role. Herein, the ion–s... The building of safe and high energy-density lithium batteries is strongly dependent on the electrochemical performance of working electrolytes, in which ion–solvent interactions play a vital role. Herein, the ion–solvent chemistry is developed from mono-solvent to multi-solvent complexes to probe the solvation structure and the redox stability of practical electrolytes. The decrease in energies of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of solvents in lithium-ion solvation shells becomes less significant as the number of coordinated solvents increases, but both the HOMO and LUMO energies of the coordinated solvents remain lower than those of free solvents. A positive and approximately linear relationship was found between the decrease in the HOMO/LUMO energy and the average binding energy between Li+ and the coordinated solvents. A binary-solvent complex model further highlight the significant importance of the electrolyte solvation environment in regulating electrolyte stability, and it is essential to consider electrolyte stability from the perspective of ion–solvent complexes. These fresh insights into the energy chemistry of multi-solvent complexes provide critical references for electrolyte design and cell optimization. 展开更多
关键词 Lithium batteries Ion–solvent complexes Electrolyte solvation Electrolyte stability Density functional theory calculations Molecular dynamics simulations
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Solvent extraction and separation of light rare earth elements (La, Pr and Nd) in the presence of lactic acid as a complexing agent by Cyanex 272 in kerosene and the effect of citric acid,acetic acid and Titriplex Ⅲ as auxiliary agents 被引量:15
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作者 Eslam Kashi Razieh Habibpour +1 位作者 Hesamoddin Gorzin Armin Maleki 《Journal of Rare Earths》 SCIE EI CAS CSCD 2018年第3期317-323,共7页
At present, the use of rare earth elements(REEs) has become an inevitable necessity in many modern industries. In general, liquid extraction is the best commercial method for extracting REEs due to its ability to co... At present, the use of rare earth elements(REEs) has become an inevitable necessity in many modern industries. In general, liquid extraction is the best commercial method for extracting REEs due to its ability to control high volumes of liquids with electrical load. With the aim of improving a separation technology that would be superior to the existing extraction systems, the extraction behaviors of La(Ⅲ),Pr(Ⅲ), and Nd(Ⅲ) from an HCI medium with Cyanex 272 in the presence of the complexing agent lactic acid(HLac) and auxiliary agents citric acid(H3 Cit), acetic acid(HAc), and Titriplex Ⅲ have been reported.The effect of pH and lactic acid concentration has been examined. The use of lactic acid as a complexing agent leading to a high extraction of REEs with Cyanex 272 at pH = 5 was compared with systems without lactic acid. The results show that the use of acetic acid along with lactic acid leads to an increase in the extraction percentage of LREEs. While use of citric acid and Titriplex Ⅲ reduces the extraction percentage of LREEs. Finally, the presence of Titriplex Ⅲ together with lactic acid could lead to an increase in the separation factor of Pr and Nd. 展开更多
关键词 Light rare earth elements(LREEs) solvent extraction Cyanex 272 Lactic acid complexing agent Auxiliary agents Rare earths
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Interaction of benzene-1,3-disulfonylamid-kriptofix[22] with iodine in chloroform and dichloromethane solutions
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作者 Tayyebeh Madrakian Sara Heidari 《Chinese Chemical Letters》 SCIE CAS CSCD 2014年第10期1375-1378,共4页
The interaction of iodine as an cr-acceptor with a synthetic ligand,benzene-1,3-disulfonylamid-kriptofix[22](BDSAK) as a π-donor has been investigated spectrophotometrically in chloroform(CHCl3) and dichlorometh... The interaction of iodine as an cr-acceptor with a synthetic ligand,benzene-1,3-disulfonylamid-kriptofix[22](BDSAK) as a π-donor has been investigated spectrophotometrically in chloroform(CHCl3) and dichloromethane(DCM) solutions.The results of mole ratio plots and Job's method show the stoichiometry of complexation I2/BDSAK is 1:1.Stability constants have been calculated in various temperatures and thermodynamic parameters have also been determined from the temperatures dependence of the stability constants by using van't Hoff equation.The results indicate the iodine complex with BDSAK is enthalpy stabilized but entropy destabilized. 展开更多
关键词 Charge transfer complex Iodine Spectrophotometry solvent effect
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