In situ thickness dependent photoluminescence （PL） measurements of tris（8-hydroxyquinoline） aluminum（Alq3） film were performed. At the beginning of Alq3 deposition on the glass substrate, the Alq3 emission showe...In situ thickness dependent photoluminescence （PL） measurements of tris（8-hydroxyquinoline） aluminum（Alq3） film were performed. At the beginning of Alq3 deposition on the glass substrate, the Alq3 emission showed a sharp red-shift. Further deposition of Alq3 resulted slight red-shift, and finally tended to saturated value. The total red-shift of about 12 nm was observed for the Alq3 film thickness range from 2 to 500 nm.This red-shift was attributed to the change from the 2D to 3D exciton state with increasing Alq3 film thickness. Meanwhile, the PL intensity of Alq3 emission increased continuously, and showed a rate change at the initial deposition of Alq3 due to non-rediative decay of excitons arised from the interaction between excitons and the substrate, and finally tended to saturation with the Alq3 thickness.展开更多
Synergistic solvent extraction of rare earth elements （REEs） from nitrate medium was investigated with mixtures of 8-hydroxyquinoline （HQ） and acidic organophosphorus extractants, bis（2,4,4-trimethylpentyl） dith...Synergistic solvent extraction of rare earth elements （REEs） from nitrate medium was investigated with mixtures of 8-hydroxyquinoline （HQ） and acidic organophosphorus extractants, bis（2,4,4-trimethylpentyl） dithiophosphinic acid （Cyanex 301） and bis（2,4,4-trimethylpentyl） monothiophosphinic acid （Cyanex 302）. The extraction behavior of Cyanex 301/Cyanex 302 and their binary mixtures with HQ towards several lanthanoids （La, Nd, Sm, Tb, Ho, Tm） and yttrium （Y） was investigated. The separation ability of REEs was studied according to the various extraction effects. The extraction mechanisms for yttrium were studied with the methods of slope analysis and constant moles in the synergistic systems. The extracted compounds, the equilibrium constants, and thermodynamic functions were also determined.展开更多
The coordination complex Sm(C_(7)H_(5)O_(2))_(2)·(C_(9)H_(6)NO),synthesized from the reaction of samarium chloride sixhydrate with salicylic acid and 8-hydroxyquinoline,was characterized with IR,elemental analysi...The coordination complex Sm(C_(7)H_(5)O_(2))_(2)·(C_(9)H_(6)NO),synthesized from the reaction of samarium chloride sixhydrate with salicylic acid and 8-hydroxyquinoline,was characterized with IR,elemental analysis,molar conductance,and thermogravimatric analysis.The standard molar enthalpies of solution of[SmCl_(3)·6H_(2)O(s)],[2C_(7)H_(6)O_(3)(s)],[C_(9)H_(7)NO(s)]and[Sm(C_(7)H_(5)O_(3))_(2)·(C_(9)H_(6)NO)(s)]in the calorimetric solvent were determined with the solution-reaction isoperibol calorimeter at 298.15 K to be△sHm^-[SmC_(l3)·6H_(2)O(s),298.15 K]=-103.98±0.04 kJ·mol^(-1),△sHm^-[2 C_(7)H_(6)O_(3)(s),298.15 K]=16.35±0.14 kJ·mol^(-1),△sHm^-[C_(9)H_(7)NO(s),298.15 K]=-6.11±0.08 kJ·mol^(-1)and△sHm^-[Sm(C7H5O3)2·(C9H6NO)(s),298.15 K]=-130.08±0.04 kJ·mol^-1,respectively.The enthalpy was determined to be△rHm^-=89.59±0.18 kJ·mol^-1 for the reaction SmCl3·6H2O(s)+2C7H6O3(s)+C9H7NO(s)=Sm(C7H5O3)2·(C9H6NO)(s)+3HCl(g)+6H2O(l).According to the above results and the data given in literature and through Hess'law,the standard molar enthalpy of formation of Sin(C7H5O3)2·(C9H7NO)(s)was estimated to be△rHm^-[Sm(C7H5O3)2·(C9H6NO)(s),298.15 K]=-2055.9±3.03 kJ·mol^-1.展开更多
Photooxidative removal of pharmaceuticals and organic dyes is an effective way to eliminate growing micropollutants. However, photooxidation often results in byproducts as secondary hazardous substances such as phytot...Photooxidative removal of pharmaceuticals and organic dyes is an effective way to eliminate growing micropollutants. However, photooxidation often results in byproducts as secondary hazardous substances such as phytotoxins. Herein, we found that photooxidation of common antibiotic tetracycline hydrochloride(TCH) over a metal-free 8-hydroxyquinoline(8-HQ) functionalized carbon nitride(CN) photocatalyst significantly reduces the TCH phytotoxic effect. The phytotoxicity test of photocatalytic treated TCH-solution evaluated towards seed growth of Cicer arietinum plant model endowed natural root and shoot growth.This study highlights the conceptual insights in designing of metal-free photocatalyst for environmental remediation.展开更多
The structure of a binuclear cadmium（Ⅱ） quaternary complex, [Cd2（phen）2- Q2（BP）]n 1 （phen = 1,10-phenanthroline, BP = biphenyl-4,4′-dicarboxylic acid, Q = 8-hydroxy- quinoline-anion）, has been determined by ...The structure of a binuclear cadmium（Ⅱ） quaternary complex, [Cd2（phen）2- Q2（BP）]n 1 （phen = 1,10-phenanthroline, BP = biphenyl-4,4′-dicarboxylic acid, Q = 8-hydroxy- quinoline-anion）, has been determined by X-ray crystallography and characterized by elemental analysis, IR spectrum and thermogravimetric analysis. It crystallizes in the monoclinic system, space group P21/n with a = 13.1906（18）, b = 10.9623（15）, c = 16.947（2）A, β = 111.3430（10）°, V = 2282.5（5）A^3, Z = 4, Mr = 556.85, Dc = 1.620 g/cm^3, F（000） = 1116,μ= 0.994 mm^-1 and S = 1.056. In the structure, 1D chains are connected via biphenyl-4,4′-dicarboxylic acid, 8-hydroxy quinoline anion and binuclear cadmium atoms into an infinite 1-D molecular chain architecture. Via aryl ring π-π stacking interactions a supramolecular structure is formed in 1.展开更多
The synergistic extraction of Pr^3＋ from hydrochloric medium using mixture of 2-ethylhexyl phosphonic acid mono- 2-ethylhexyl ester （P507, HL） and 8-Hydroxyquinoline （HQ） in heptane was investigated. The effect o...The synergistic extraction of Pr^3＋ from hydrochloric medium using mixture of 2-ethylhexyl phosphonic acid mono- 2-ethylhexyl ester （P507, HL） and 8-Hydroxyquinoline （HQ） in heptane was investigated. The effect of equilibrium of aqueous acidity on extraction of Pr^3＋ was discussed. The effect of extractant concentraction, different diluents, equilibrium time and acetate ion concentration oil extraction reaction were also studied. With a method of double-logarithmic slope, composition of the extracted species on 2-ethylhexyl phosphonic acid mono-2-ethylhexyl ester and 8-Hydroxyquinoline was derived. The result shows that the synergistic extraction system not only overcomes emulsification of 8-Hydroxyquinoline, but also shows perfect capacity of synergistic extraction. The largest synergistic enhancement factor can be calculated to be 5.49 at pH 3.6 for Pr^3＋.展开更多
背景:沸石基咪唑盐框架8及其衍生物凭借优异的药物控释能力在组织工程领域展现出广泛的应用潜力。目的:综述沸石基咪唑盐框架8及其改性材料在活性氧生成与清除中的作用机制,探讨它们在抗肿瘤、抗菌及组织保护领域的应用潜力,分析未来发...背景:沸石基咪唑盐框架8及其衍生物凭借优异的药物控释能力在组织工程领域展现出广泛的应用潜力。目的:综述沸石基咪唑盐框架8及其改性材料在活性氧生成与清除中的作用机制,探讨它们在抗肿瘤、抗菌及组织保护领域的应用潜力,分析未来发展方向与挑战。方法:由第一作者通过中国知网、PubMed等数据库检索2000-2024年相关文献,中文检索关键词为“沸石基咪唑盐框架8,活性氧,抗菌,抗肿瘤,活性氧吸收,活性氧平衡,组织修复”,英文检索关键词为“ZIF-8,ROS,antibacterial,antitumor,ROS absorption,Balance of ROS,Tissue regeneration”,最终筛选69篇高质量文献进行综述分析。结果与结论:通过调控沸石基咪唑盐框架8及其改性材料的带隙结构、优化电子转移效率可显著提升光生载流子的分离与迁移效率,从而增强催化反应性能,提高活性氧的产生效率,实现更高效、更具靶向性的抗肿瘤及抗菌作用;同时,采用抗氧化酶系统或表面改性技术构建的活性氧清除装置,能够精准平衡多余活性氧,实现对细胞的有效保护。这种基于带隙调控与电子转移优化的双向调控机制,为动态管理活性氧生成与清除提供了重要策略,在抗肿瘤、抗菌及组织保护等领域展现出广阔的应用前景。展开更多
The effects of La 3+ ion and chelate reagent 8 hydroxyquinoline on the corrosion rate of zinc in hydrochloric acid were investigated by using weight loss method and electrochemical method. It is found that in a ...The effects of La 3+ ion and chelate reagent 8 hydroxyquinoline on the corrosion rate of zinc in hydrochloric acid were investigated by using weight loss method and electrochemical method. It is found that in a specific concentration range of La 3+ ion and 8 hydroxyquinoline, the obvious corrosion inhibition synergism is obtained. The mechanism of corrosion inhibition synergism was discussed on basis of adsorption theory.展开更多
The structures of 2,7＇-（ethylene）-bis-8-hydroxyquinoline and its derivatives were optimized at the ground states using ab initio HF and B3LYP methods. At the same time, the molecular structures of the first singlet...The structures of 2,7＇-（ethylene）-bis-8-hydroxyquinoline and its derivatives were optimized at the ground states using ab initio HF and B3LYP methods. At the same time, the molecular structures of the first singlet excited state for 2,7＇-（ethylene）-bis-8-hydroxyqulnoline and its derivatives were optimized by CIS/6-31G（d）. The absorption and emission spectra based on the above structures were obtained by the time-dependent density functional theory （TD-DFT） by the B3LYP method with the 6-31G（d） basis set. The calculated results of luminescence originate from the electronic transition from the hydroxphenol ring of 8-hydroxyquinoline A to the pyridine ring of 8-hydroxyquinoline B. Their luminescence wave bands can be tuned by different substituents on the ligand of 8-hydroxyquinoline.展开更多
Stable and persistent bipolar resistive switching was observed in an organic diode with the structure of indium-tin oxide （ITO）/bis（8-hydroxyquinoline） cadmium （Cdq2）/Al. Aggregate formation and electric field d...Stable and persistent bipolar resistive switching was observed in an organic diode with the structure of indium-tin oxide （ITO）/bis（8-hydroxyquinoline） cadmium （Cdq2）/Al. Aggregate formation and electric field driven trapping and detrapping of charge carriers in the aggregate states that lie in the energy gap of the highest occupied molecular orbital （HOMO） and the lowest unoccupied molecular orbital （LUMO） of the organic molecule were proposed as the mechanism of the observed bipolar resistive switching, and this was solidly supported by the results of AFM investigations. Repeatedly set, read, and reset measurements demonstrated that the device is potentially applicable in non-volatile memories.展开更多
The single crystal of bi（8-hydroxyquinoline） bihydrated cobalt （Ⅱ） complex, [ Co（Q）2 （H2O2 ] （Q = 8-hydroxyquinoline ion）, has been synthesized by general method and structurally characterized by single crys...The single crystal of bi（8-hydroxyquinoline） bihydrated cobalt （Ⅱ） complex, [ Co（Q）2 （H2O2 ] （Q = 8-hydroxyquinoline ion）, has been synthesized by general method and structurally characterized by single crystal X-ray diffraction. Crystal data： C18H16CoN2O4, monoclinic, C2/c, α = 1.336 2（4） nm, b = 0.941 2（3） nm, c = 1.354 3（4） nm, β= 109.672（4）°, Z = 4. In the complex, Co（ Ⅱ ） ion is six-coordinated, forming a distorted octahedron. H-bonding and π-π stacking interaction play a significant role to form and stabilize the three-dimensional structure.展开更多
2,7′-（Ethylene）-bis-8-hydroxyquinoline was optimized with DFT/B3LYP and ab initio HF methods, so ion- ization potential and electron affinity could be determined. Absorption spectrum was calculated by ZINDO and TD-...2,7′-（Ethylene）-bis-8-hydroxyquinoline was optimized with DFT/B3LYP and ab initio HF methods, so ion- ization potential and electron affinity could be determined. Absorption spectrum was calculated by ZINDO and TD-DFT. CIS method was used to calculate the S1 excited states of the compound and afterwards the emission spectrum was computed. When the solvent effect was taken into account, the computed results show encouraging agreement with known experimental data. The results of analyzing the relationship between the energies and absorption spectra indicate that the ability to transporting electrons is strengthened compared with 8-hydroxyquinoline and that absorption and emission spectra are red-shifted. The intramoleeular reor- ganization energy of tris（2,7′-（ethylene）-bis-8-hydroxyquinoline）-aluminum implies its electron transporting property is worse than tris（8-hydroxyquinoline）-aluminum. The predicted maximum emission wavelength is red-shifted compared with tris（8-hydroxyquinoline）-aluminum.展开更多
8-Hydroxyquinoline salt of pyrazine-2,3,5,6-tetracarboxylic acid [HQ]2[H2pztc]· 2H2O （1） was prepared and characterized by single-crystal X-ray diffraction, NMR, IR, TGA, elemental analysis and fluorescent meas...8-Hydroxyquinoline salt of pyrazine-2,3,5,6-tetracarboxylic acid [HQ]2[H2pztc]· 2H2O （1） was prepared and characterized by single-crystal X-ray diffraction, NMR, IR, TGA, elemental analysis and fluorescent measurements. Compound 1 crystallizes in orthorhombic, space group Pbcn with a = 9.953（3）, b = 15.966（3）, c = 16.081（5） A, V = 2555.5（13） A3, Z = 4, μ = 0.122 mm^-1, Dc = 1.514 Mg/m3, T= 296（2） K, C26H22N4O12, Mr = 582.48, F（000） = 1208, S = 1.006, R = 0.0448 and wR = 0.1149. Compound 1 has a three-dimensional （3D） network, in which pyra- zine-2,3,5,6-tetracarboxylic acids build up two-dimensional （2D） sheets and 8-hydroxyquinoline cations and water molecules act as pillars to connect the 2D sheets into an extended 3D network through strong intermolecular hydrogen bonding and π…π stacking interactions. Especially, a very short O-H…O hydrogen bond （O…O 2.470（2） A） between two neighboring [H2pztc] anions was observed.展开更多
基金This work is supported by the National Natural Science Foundation of China （No. 10274072, 20240430654）the Specialized Research Fund for the Doctoral Program of Higher Education of China （No. 20030335017）.
文摘In situ thickness dependent photoluminescence （PL） measurements of tris（8-hydroxyquinoline） aluminum（Alq3） film were performed. At the beginning of Alq3 deposition on the glass substrate, the Alq3 emission showed a sharp red-shift. Further deposition of Alq3 resulted slight red-shift, and finally tended to saturated value. The total red-shift of about 12 nm was observed for the Alq3 film thickness range from 2 to 500 nm.This red-shift was attributed to the change from the 2D to 3D exciton state with increasing Alq3 film thickness. Meanwhile, the PL intensity of Alq3 emission increased continuously, and showed a rate change at the initial deposition of Alq3 due to non-rediative decay of excitons arised from the interaction between excitons and the substrate, and finally tended to saturation with the Alq3 thickness.
基金supported by National 973 Program of China(2012CBA01206)National Natural Science Foundation of China(51222404)the financial support from State Key Laboratory of Rare Earth Resource Utilization,Changchun Institute of Applied Chemistry(RERU2011006)
文摘Synergistic solvent extraction of rare earth elements （REEs） from nitrate medium was investigated with mixtures of 8-hydroxyquinoline （HQ） and acidic organophosphorus extractants, bis（2,4,4-trimethylpentyl） dithiophosphinic acid （Cyanex 301） and bis（2,4,4-trimethylpentyl） monothiophosphinic acid （Cyanex 302）. The extraction behavior of Cyanex 301/Cyanex 302 and their binary mixtures with HQ towards several lanthanoids （La, Nd, Sm, Tb, Ho, Tm） and yttrium （Y） was investigated. The separation ability of REEs was studied according to the various extraction effects. The extraction mechanisms for yttrium were studied with the methods of slope analysis and constant moles in the synergistic systems. The extracted compounds, the equilibrium constants, and thermodynamic functions were also determined.
基金Project supported by the Hunan Provincial Natural Sciences Foundation of China(03JJY3019)
文摘The coordination complex Sm(C_(7)H_(5)O_(2))_(2)·(C_(9)H_(6)NO),synthesized from the reaction of samarium chloride sixhydrate with salicylic acid and 8-hydroxyquinoline,was characterized with IR,elemental analysis,molar conductance,and thermogravimatric analysis.The standard molar enthalpies of solution of[SmCl_(3)·6H_(2)O(s)],[2C_(7)H_(6)O_(3)(s)],[C_(9)H_(7)NO(s)]and[Sm(C_(7)H_(5)O_(3))_(2)·(C_(9)H_(6)NO)(s)]in the calorimetric solvent were determined with the solution-reaction isoperibol calorimeter at 298.15 K to be△sHm^-[SmC_(l3)·6H_(2)O(s),298.15 K]=-103.98±0.04 kJ·mol^(-1),△sHm^-[2 C_(7)H_(6)O_(3)(s),298.15 K]=16.35±0.14 kJ·mol^(-1),△sHm^-[C_(9)H_(7)NO(s),298.15 K]=-6.11±0.08 kJ·mol^(-1)and△sHm^-[Sm(C7H5O3)2·(C9H6NO)(s),298.15 K]=-130.08±0.04 kJ·mol^-1,respectively.The enthalpy was determined to be△rHm^-=89.59±0.18 kJ·mol^-1 for the reaction SmCl3·6H2O(s)+2C7H6O3(s)+C9H7NO(s)=Sm(C7H5O3)2·(C9H6NO)(s)+3HCl(g)+6H2O(l).According to the above results and the data given in literature and through Hess'law,the standard molar enthalpy of formation of Sin(C7H5O3)2·(C9H7NO)(s)was estimated to be△rHm^-[Sm(C7H5O3)2·(C9H6NO)(s),298.15 K]=-2055.9±3.03 kJ·mol^-1.
基金the department of science and technology fund for improvement of science and technology infrastructure (DST FIST) (No. SR/FST/CSI-279/2016(C)) for providing XRD and UV-DRS facilitiesthe department of science and technology science and engineering research board (DST-SERB) through the project (No. SB/EMEQ-052/2014 SERB) for financial assistancethe Director, Visvesvaraya National Institute of Technology (VNIT) Nagpur for financial support。
文摘Photooxidative removal of pharmaceuticals and organic dyes is an effective way to eliminate growing micropollutants. However, photooxidation often results in byproducts as secondary hazardous substances such as phytotoxins. Herein, we found that photooxidation of common antibiotic tetracycline hydrochloride(TCH) over a metal-free 8-hydroxyquinoline(8-HQ) functionalized carbon nitride(CN) photocatalyst significantly reduces the TCH phytotoxic effect. The phytotoxicity test of photocatalytic treated TCH-solution evaluated towards seed growth of Cicer arietinum plant model endowed natural root and shoot growth.This study highlights the conceptual insights in designing of metal-free photocatalyst for environmental remediation.
基金Siping Sci-tech Development Planning Project(No.2005012)
文摘The structure of a binuclear cadmium（Ⅱ） quaternary complex, [Cd2（phen）2- Q2（BP）]n 1 （phen = 1,10-phenanthroline, BP = biphenyl-4,4′-dicarboxylic acid, Q = 8-hydroxy- quinoline-anion）, has been determined by X-ray crystallography and characterized by elemental analysis, IR spectrum and thermogravimetric analysis. It crystallizes in the monoclinic system, space group P21/n with a = 13.1906（18）, b = 10.9623（15）, c = 16.947（2）A, β = 111.3430（10）°, V = 2282.5（5）A^3, Z = 4, Mr = 556.85, Dc = 1.620 g/cm^3, F（000） = 1116,μ= 0.994 mm^-1 and S = 1.056. In the structure, 1D chains are connected via biphenyl-4,4′-dicarboxylic acid, 8-hydroxy quinoline anion and binuclear cadmium atoms into an infinite 1-D molecular chain architecture. Via aryl ring π-π stacking interactions a supramolecular structure is formed in 1.
文摘The synergistic extraction of Pr^3＋ from hydrochloric medium using mixture of 2-ethylhexyl phosphonic acid mono- 2-ethylhexyl ester （P507, HL） and 8-Hydroxyquinoline （HQ） in heptane was investigated. The effect of equilibrium of aqueous acidity on extraction of Pr^3＋ was discussed. The effect of extractant concentraction, different diluents, equilibrium time and acetate ion concentration oil extraction reaction were also studied. With a method of double-logarithmic slope, composition of the extracted species on 2-ethylhexyl phosphonic acid mono-2-ethylhexyl ester and 8-Hydroxyquinoline was derived. The result shows that the synergistic extraction system not only overcomes emulsification of 8-Hydroxyquinoline, but also shows perfect capacity of synergistic extraction. The largest synergistic enhancement factor can be calculated to be 5.49 at pH 3.6 for Pr^3＋.
文摘背景:沸石基咪唑盐框架8及其衍生物凭借优异的药物控释能力在组织工程领域展现出广泛的应用潜力。目的:综述沸石基咪唑盐框架8及其改性材料在活性氧生成与清除中的作用机制,探讨它们在抗肿瘤、抗菌及组织保护领域的应用潜力,分析未来发展方向与挑战。方法:由第一作者通过中国知网、PubMed等数据库检索2000-2024年相关文献,中文检索关键词为“沸石基咪唑盐框架8,活性氧,抗菌,抗肿瘤,活性氧吸收,活性氧平衡,组织修复”,英文检索关键词为“ZIF-8,ROS,antibacterial,antitumor,ROS absorption,Balance of ROS,Tissue regeneration”,最终筛选69篇高质量文献进行综述分析。结果与结论:通过调控沸石基咪唑盐框架8及其改性材料的带隙结构、优化电子转移效率可显著提升光生载流子的分离与迁移效率,从而增强催化反应性能,提高活性氧的产生效率,实现更高效、更具靶向性的抗肿瘤及抗菌作用;同时,采用抗氧化酶系统或表面改性技术构建的活性氧清除装置,能够精准平衡多余活性氧,实现对细胞的有效保护。这种基于带隙调控与电子转移优化的双向调控机制,为动态管理活性氧生成与清除提供了重要策略,在抗肿瘤、抗菌及组织保护等领域展现出广阔的应用前景。
文摘The effects of La 3+ ion and chelate reagent 8 hydroxyquinoline on the corrosion rate of zinc in hydrochloric acid were investigated by using weight loss method and electrochemical method. It is found that in a specific concentration range of La 3+ ion and 8 hydroxyquinoline, the obvious corrosion inhibition synergism is obtained. The mechanism of corrosion inhibition synergism was discussed on basis of adsorption theory.
基金Supported by the Foundation of Education Committee of Gansu Province (No. 0708-11)foundation of Tianshui Normal University (No. TSA0604)
文摘The structures of 2,7＇-（ethylene）-bis-8-hydroxyquinoline and its derivatives were optimized at the ground states using ab initio HF and B3LYP methods. At the same time, the molecular structures of the first singlet excited state for 2,7＇-（ethylene）-bis-8-hydroxyqulnoline and its derivatives were optimized by CIS/6-31G（d）. The absorption and emission spectra based on the above structures were obtained by the time-dependent density functional theory （TD-DFT） by the B3LYP method with the 6-31G（d） basis set. The calculated results of luminescence originate from the electronic transition from the hydroxphenol ring of 8-hydroxyquinoline A to the pyridine ring of 8-hydroxyquinoline B. Their luminescence wave bands can be tuned by different substituents on the ligand of 8-hydroxyquinoline.
基金the National Natural Science Foundation of China(Grant No.10974074)
文摘Stable and persistent bipolar resistive switching was observed in an organic diode with the structure of indium-tin oxide （ITO）/bis（8-hydroxyquinoline） cadmium （Cdq2）/Al. Aggregate formation and electric field driven trapping and detrapping of charge carriers in the aggregate states that lie in the energy gap of the highest occupied molecular orbital （HOMO） and the lowest unoccupied molecular orbital （LUMO） of the organic molecule were proposed as the mechanism of the observed bipolar resistive switching, and this was solidly supported by the results of AFM investigations. Repeatedly set, read, and reset measurements demonstrated that the device is potentially applicable in non-volatile memories.
基金Sponsored bythe National Natural Science Foundation of China (20331010 , 20201007 and 90406002) Specialized Research Fund for theDoctoral Programof Higher Education (20030007014)
文摘The single crystal of bi（8-hydroxyquinoline） bihydrated cobalt （Ⅱ） complex, [ Co（Q）2 （H2O2 ] （Q = 8-hydroxyquinoline ion）, has been synthesized by general method and structurally characterized by single crystal X-ray diffraction. Crystal data： C18H16CoN2O4, monoclinic, C2/c, α = 1.336 2（4） nm, b = 0.941 2（3） nm, c = 1.354 3（4） nm, β= 109.672（4）°, Z = 4. In the complex, Co（ Ⅱ ） ion is six-coordinated, forming a distorted octahedron. H-bonding and π-π stacking interaction play a significant role to form and stabilize the three-dimensional structure.
文摘2,7′-（Ethylene）-bis-8-hydroxyquinoline was optimized with DFT/B3LYP and ab initio HF methods, so ion- ization potential and electron affinity could be determined. Absorption spectrum was calculated by ZINDO and TD-DFT. CIS method was used to calculate the S1 excited states of the compound and afterwards the emission spectrum was computed. When the solvent effect was taken into account, the computed results show encouraging agreement with known experimental data. The results of analyzing the relationship between the energies and absorption spectra indicate that the ability to transporting electrons is strengthened compared with 8-hydroxyquinoline and that absorption and emission spectra are red-shifted. The intramoleeular reor- ganization energy of tris（2,7′-（ethylene）-bis-8-hydroxyquinoline）-aluminum implies its electron transporting property is worse than tris（8-hydroxyquinoline）-aluminum. The predicted maximum emission wavelength is red-shifted compared with tris（8-hydroxyquinoline）-aluminum.
基金supported by the National Natural Science Foundation of China(No.21162015)Science Foundation of State Key Laboratory of Structural Chemistry(No.20100009)
文摘8-Hydroxyquinoline salt of pyrazine-2,3,5,6-tetracarboxylic acid [HQ]2[H2pztc]· 2H2O （1） was prepared and characterized by single-crystal X-ray diffraction, NMR, IR, TGA, elemental analysis and fluorescent measurements. Compound 1 crystallizes in orthorhombic, space group Pbcn with a = 9.953（3）, b = 15.966（3）, c = 16.081（5） A, V = 2555.5（13） A3, Z = 4, μ = 0.122 mm^-1, Dc = 1.514 Mg/m3, T= 296（2） K, C26H22N4O12, Mr = 582.48, F（000） = 1208, S = 1.006, R = 0.0448 and wR = 0.1149. Compound 1 has a three-dimensional （3D） network, in which pyra- zine-2,3,5,6-tetracarboxylic acids build up two-dimensional （2D） sheets and 8-hydroxyquinoline cations and water molecules act as pillars to connect the 2D sheets into an extended 3D network through strong intermolecular hydrogen bonding and π…π stacking interactions. Especially, a very short O-H…O hydrogen bond （O…O 2.470（2） A） between two neighboring [H2pztc] anions was observed.
