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The reactions of the new ligand, 2-(2'-hydroxyphenyl)-8-hydroxyquinoline with selected metal ions have been studied. With Co(II), Ni(II), Cu(II), Zn(II) and Cd(II), 1:1 complexes are formed in solution which are considerably more stable than the corresponding complexes of 8-hydroxyquinoline. With AI(III) stable 1:1 and 2:1 complexes are formed. With the aid of molecular models, the enhanced stability is attributed to the formation of a strain-free 5,6 bicyclic chelate-ring system. 相似文献
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The ligands 2-(2'-pyridyl)- and 2-hydrazino-8-hydroxyquinoline form terdentate complexes with a 5,5-bicyclic ring system, the stabilities being greater than those of the corresponding 8-hydroxyquinolinates. This study affords a more complete picture of the behaviour of terdentate 2-substituted 8-hydroxyquinolines. Solutions of these ligands and metal ions are complicated by formation of the protonated species MHL(2+), M(HL)(2+)(2) and MLHL(+). The existence of the protonated species is dependent not only on pH and ligand:metal-ion molar ratio but also on the nature of the metal ion itself. 相似文献
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研究了2-[(4-氯苯基亚氨基)甲基]-8-羟基喹啉的三种质子转移途径: 分子内质子转移、水分子辅助质子转移和甲醇分子辅助质子转移. 以该席夫碱化合物的晶体结构作为模型, 在B3LYP/6-31+G(d)水平上, 优化得到稳定态和过渡态的几何构型. 对三类质子转移前后的结构、能量、红外光谱、化学位移进行研究, 结果表明水分子辅助质子转移和甲醇分子辅助质子转移中, 水和甲醇分子利用氢键作用参与质子转移过程, 形成七元环状过渡态, 大大降低了反应的能垒, 有利于质子的转移, 氢键在降低活化能方面起着重要作用. 相似文献
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Krishnakumar V Ramasamy R 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,61(4):673-683
The geometry, frequency and intensity of the vibrational bands of isoquinoline (IQ) and 8-hydroxyquinoline (8-HQ) were obtained by the density functional theory (DFT) calculations with the B3LYP functional and 6-31 G* basis set. The vibrational spectral data obtained from the solid phase mid and far FT-IR and FT-Raman spectra of IQ and 8-HQ are assigned based on the results of the normal coordinate calculations. The observed and the calculated spectra are found to be in good agreement. 相似文献
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Two novel light-emitting materials bis-[2′-2″-(9H-fluoren-2-yl)-vinyl-8-hydroxyquinoline] zinc(II) (3) and bis-[2′-4″-(4,5-diphenyl-1H-imidazol-2-yl)styryl-8-hydroxyquinoline] zinc(II) (4) containting 8-hydroxyquinoline and fluorene or imidazole moieties have been synthesized. The optical properties of these complexes were influenced by the styryl substituents, and exhibited orange-emission. They have higher fluorescence quantum yields than Alq3, and good stabilities with thermal decomposition temperatures 395 °C and 435 °C. The single-layer OLED fabricated by 3 emitted lemon-yellow, and exhibited good device performance with a maximum luminance of 489 cd m−2, and luminance efficiency of up to 0.41 cd A−1. The single-layer OLED fabricated by 4 emitted yellow-green, and exhibited good device performance with a maximum luminance of 323 cd m−2, and luminance efficiency of up to 0.54 cd A−1. 相似文献
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Spectrophotometric determination of the formation constants of iron(III)-8-hydroxyquinoline complexes in 0.1 M sodium perchlorate solution at 25° gave the values K1=[FeOx2+]/([Fe3+][Ox-])=4.9·1013, K2=[FeOx2+]/([FeOx2+][Ox-])=4.2·1012 and K3=[FeOx3]/([FeOx2+][Ox-])=3.9·1010. FeOx2OH and FeOx(OH)2 are obtainable as solid phases. FeOx3 (Ksp=3·10-44, intrinsic solubility 1.6·10-7 M) dissolves in basic solutions to form FeOx2(OH)2 -In a solution saturated with FeOx3, ([FeOx2(OH)2-][Ox-])/[OH-]2=7.7·10-5. 相似文献
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The orange compound formed between thorium(IV) and 8-hydroxyquinoline by conventional precipitation is non-stoichiometric. The composition is very sensitive to experimental conditions; the average ratio of bound 8-hydroxyquinoline to thorium was found to be 4.9:1. The deficiency of 8-hydroxyquinoline is due either to partial hydrolysis of thorium, or to the presence of co-ordinated water. A simple procedure for the preparation of the pure tetrakis compound is described. 相似文献
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Dziembowska T Szafran M Jagodzińska E Natkaniec I Pawlukojć A Kwiatkowski JS Baran J 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2003,59(9):2175-2189
The geometry, frequency and intensity of the vibrational bands of 8-hydroxyquinoline N-oxide (8-HQNO) and its deuterated derivative (8-DQNO) were obtained by the density functional theory (DFT) with the BLYP and B3LYP functionals and 6-31G(d,p) basis set. The optimized bond lengths and bond angles are in good agreement with the X-ray data. The IR and INS spectra of 8-HQNO and 8-DQNO computed at the DFT level reproduce the vibrational wavenumbers and intensities with an accuracy, which allows reliable vibrational assignments. 相似文献
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5,7′-(亚甲胺基)-二-8-羟基喹啉的合成及其理论研究 总被引:2,自引:0,他引:2
以4-甲基苯磺酸作催化剂、用三乙胺调节pH值约为9的条件下,由5-甲酰基-8-羟基喹啉和5-氨基-8-羟基喹啉合成了新的5,7′-(亚甲胺基)-二-8-羟基喹啉,利用IR,UV,1H NMR,MS确认了分子结构,比较研究了其光致发光特性,运用Gaussian 98量子化学程序包,采用B3LYP密度泛函(DFT)的方法,在6-31G(d,p)水平上对分子的几何构型进行结构优化;并对目标化合物的稳定结构通过计算预测其振动光谱,计算结果与实验值基本相符. 相似文献
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1INTRODUCTIONThephotodimerizationof1,2-bisarylethenederivativesisaconvenientwayforsynthesizingtetraarylsubstitutedcyclobutane.Forthisreason,thephotochemistryofstilbeneandstyrylpyridinederivativeshasbeenextensivelystudied[1,2].UpontheirradiationwithUVlight(?=300~400nm),thesemonomersareconvertedtohead-to-tailphotodimersinpolarsolventwithperfectyields.Inrecentyears,ourgrouphasbeenstudyingthephotodimerizationreactionsofheteroarylethenescontainingbenzoxazolyl[3]andphenyloxazolyl[4]groups.Itw… 相似文献
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以4-甲基苯磺酸作催化剂、用三乙胺调节pH值约为9的条件下, 由5-甲酰基-8-羟基喹啉和5-氨基-8-羟基喹啉合成了新的5,7′-(亚甲胺基)-二-8-羟基喹啉, 利用IR, UV, 1H NMR, MS确认了分子结构, 比较研究了其光致发光特性, 运用Gaussian 98量子化学程序包, 采用B3LYP密度泛函(DFT)的方法, 在6-31G(d,p)水平上对分子的几何构型进行结构优化; 并对目标化合物的稳定结构通过计算预测其振动光谱, 计算结果与实验值基本相符. 相似文献
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Benarafa L Rghioui L Nejjar R Saidi Idrissi M Knidiri M Lorriaux A Wallart F 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,61(3):419-430
The monoclinic phosphates with K3Ln(PO4)2 (Ln=rare earth) formula were synthesized. Their infrared and Raman spectra have been reported and analysed. The results of a force field calculation for K3Nd(PO4)2 are presented. 相似文献
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合成了2,7'-(乙烯基)-二-8-羟基喹啉(C20H14N2O2),利用IR,UV,HNMR,MS和元素分析确认其结构;利用X射1线单晶衍射仪测定了该化合物的晶体结构;测定了目标产物的荧光光谱.实验结果表明,晶体(C20H14N2O2)属于三斜晶系,空间群P-1,a=0.7473(10)nm,b=0.8323(11)nm,c=1.3124(17)nm,α=102.054(2)°,β=95.030(2)°,γ=109.753(2)°,V=0.7401(17)nm3,Z=2,Dc=1.410Mg/m3,μ=0.093mm-1,F(000)=328,R1=0.0427,wR2=0.1122. 相似文献