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酞菁和酞菁铜的电子结构与光谱 总被引:4,自引:0,他引:4
用INDO/CI方法研究了酞菁和酞菁铜的电子结构和紫外-可见光谱。对酞菁采用共享氢模型。酞菁铜的一个单电子位于11b1g(dx^2-y^2)的MO上。从酞菁铜与酞菁,分子对称性由D4h降低为D2h,谱线发生分裂。计算结果基本与实验结果相符。 相似文献
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报道了用4-硝基邻苯二甲酸制得四硝基酞菁镍再经Na_2S还原而得四氨基酞菁镍的合成方法以及产物的表征。四氨基酞菁镍与碘所得到的复合物〔Ni(NH_2)_4Pc〕I_x的碘含量范围很宽(0.4≤x≤3.77),其电导率为10~(-2)~10~(-3)S/cm,比未掺杂时提高了4~6个量级,而且在空气中很稳定,放置二个月后电导率仍几乎保持不变。 相似文献
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Crystal structure of pyridine and methanol axially coordinated 1,4,8,11,15,18,22,25- octabutyloxyphthalocyaninatocobalt(II)(viz.α-octabutyloxyphthalocyaninatocobalt) {[(n-BuO)8Pc]@Co(Py)(MeOH)} (1) was determined by X-ray diffraction methods. Crystal data: monoclinic, space group P21/n, Z = 4, a = 1.06482(4), b = 3.5487(2), c = 1.79428(9)nm, β=103.246(2)°, V = 6.5792(5) nm3, μ = 0.325 mm-1. The result shows that the ring skeleton of 1 maintains planar conformation, which is similar to that of unsubstituted phthalocyanine but is remarkably different from the saddle shapeconformation of 1,4,8,11,15,18,22,25-octabutyloxyphthalocyaninatocopper (II) {[(n-BuO)8Pc]Cu}(2), which has no axial coordination. In the structure of 1, the substituents butyloxy groups of 1 somewhat deviate from the ring plane, while pyridine and methanol are coordinated to the center atom Co from opposite sides of the ring plane. In addition, all molecules are stacked along axis a to form one-dimensional molecule chain, the neighboring molecules in the chain overlap to some extent with a benzene ring and a distance of 0.3565 nm. 相似文献
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Phthalocyanines (Pcs) have been widely used as dyes and pigments, photoelectric materials and catalysts. They also bring general attention for potential applications, for example, in solar batteries and fuel cell, charge battery, electrochromic display devices, liquid crystal, sensors and molecular devices. The Pc抯 properties, such as spectroscopic, electronic, and magnetic properties, thermostabilities, and catalytic activities, may be adjusted by modifying the molecular structure. Therefor… 相似文献
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油溶非对称取代酞菁铜的合成、表征及LB膜 总被引:1,自引:0,他引:1
本文以邻苯二甲酰亚胺为原料,合成了两种新的非对称取代酞菁铜配合物:4-(对羧基苯氧基)-三-4-(2,4-二特戊基苯氧基)酞菁铜(Ⅳ)和4-(邻氨基苯氧基)-三-4-(2,4-二特戊基苯氧基)酞菁铜(Ⅴ)。并经元素分析、红外光谱、核磁共振谱、质谱、顺磁共振谱及紫外光谱,对其结构进行了表征。两种配合物都易溶于二氯甲烷、氯仿和甲苯等有机溶剂,不溶于水。配合物的氯仿溶液能在水面上展开形成单分子膜。π-A曲线测定表明,配合物在亚相液面(水)上,随着表面压力的增大,膜面积连续不停地减少,有明显的“气”“固”变化过程,表明配合物能形成较好的LB膜。分子在膜中主要以倾斜的方式排列。以Z型累积方式沉积于金制梳状电极上的LB膜能导电,属于半导体材料,碘掺杂可改善膜的电导。膜电极的气敏特性研究发现,配合物对氨气有专一的气敏特性,氨气浓度为33ppm时即有响应,且灵敏度高。 相似文献
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Crystal structure of pyridine and methanol axially coordinated 1,4,8,11,15,18,22,25-octabutyloxyphthalocyaninatocobalt(II)(viz.
α-octabutyloxyphthalocyaninatocobalt) [(n-BuO)8Pc]. Co(Py)(MeOH) (1) was determined by X-ray diffraction methods. Crystal data: monoclinic, space group P21/n, Z = 4, a = 1.06482(4), b = 3.5487(2), c = 1.79428(9) nm, β=103.246(2)°, V = 6.5792(5) nm3, μ = 0.325 mm-1. The result shows that the ring skeleton of 1 maintains planar conformation, which is similar to that of unsubstituted phthalocyanine
but is remarkably different from the saddle shape conformation of 1,4,8,11,15,18,22,25-octabutyloxyphthalocyaninatocopper
(II) [(n-BuO)8Pc]Cu(2), which has no axial coordination. In the structure of 1, the substituents butyloxy groups of 1 somewhat deviate from
the ring plane, while pyridine and methanol are coordinated to the center atom Co from opposite sides of the ring plane. In
addition, all molecules are stacked along axis a to form one-dimensional molecule chain, the neighboring molecules in the
chain overlap to some extent with a benzene ring and a distance of 0.3565 nm. 相似文献
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1 INTRODUCTION Phthalocyanine and their metal complexes are important materials for the application in advanced technologies[1]. To meet some special purposes in various applications, the introduction of certain kind of substituents to the peripheral po… 相似文献
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《Journal of Coordination Chemistry》2012,65(23):3727-3739
Unsubstituted magnesium (MgPc), zinc (ZnPc) and chloroaluminium (ClAlPc) phthalocyanine complexes and the ring substituted zinc tetranitro (ZnPc(NO2)4), zinc tetraamino (ZnPc(NH2)4), zinc hexadecafluoro (ZnPcF16) and zinc hexadecachloro (ZnPcCl16), phthalocyanine complexes are employed as photocatalysts for the heterogeneous transformation of 4-nitrophenol (4-Np) to fumaric acid and 4-nitrocatechol. ClAlPc is the best catalyst, with 89 ± 8% degradation of 4-Np after 100 min. The least effective catalysts were ZnPcCl16 and MgPc. 相似文献
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Gcineka Mbambisa 《Microchemical Journal》2009,93(1):60-66
Self-assembled monolayers (SAMs) based on octapentylthiophthalocyanine complexes of oxovanadium (IV) (OVOPThPc), titanium(IV) (OTiOPThPc), and manganese (III) acetate (AcMnOPThPc), and of tetraphenylthiophthalocyanine complexes of hydroxo manganese(III) (OHMnTPPc) and oxotitanium(IV) (OTiTPPc) are described. The oxidation of l-cysteine was observed at potentials which ranged from 0.52 V to 0.67 V. The detection limits for l-cysteine analysis were of the order of 10− 7 to 10− 6 M. 相似文献
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Crystal structure of ethanol coordinated 1,8,15,22-tetra(2′,2′,4′-trimethyl-3-pentoxy) phthalocyaninatocobalt (C64H80N8O4Co·2C2H5OH, Mr = 1176.43) was determined by X-ray diffrac- tion methods. The crystal is of monoclinic, space group P21/c with a = 16.4294(4), b = 8.0560(2), c = 24.3654(7)(A。), β = 98.3680(8)°, Z = 2, V = 3190.6(1) (A。)3, Dc = 1.225 g/cm3, F(000) = 1262, μ(MoKα) = 0.326 mm-1, the final R = 0.0865 and wR = 0.2737 for 4787 observed reflections with I ≥ 2σ(I). The bulky branched alkyloxy substituents lead to a one structural isomer and space the phthalocyanine molecules where two ethanol molecules coordinate to the cobalt atom from two sides of each molecule. 相似文献
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Halit Kantekin Gülsev Dilber Zekeriya B?y?kl?o?lu 《Journal of organometallic chemistry》2008,693(6):1038-1042
Tetranitrile monomer (3) was synthesized by nucleophilic aromatic substitution of 1,5,9,13-tetrathiacyclohexadecane-3,11-diol (1) onto 4-nitrophthalonitrile (2). The metal-free phthalocyanine polymer (4) was prepared by the reaction of a tetranitrile monomer with 4-({11-[3-cyano-4-(cyanomethyl)phenoxy]-1,5,9,13-tetrathiacyclohexadecan-3-yl}oxy)phthalonitrile in 2-(dimethylamino)ethanol. Ni(II), Co(II), Cu(I)-phthalocyanine polymers were prepared by the reaction of the tetranitrile compound with the chlorides of Ni(II), Co(II) and Cu(I) in DMAE. Zn(II)-phthalocyanine polymer was prepared by the reaction of the tetranitrile compound with the acetates of Zn(II) in DMAE. The new compounds were characterized by a combination of IR, 1H NMR, 13C NMR, UV-Vis, elemental analysis and MS spectral data. 相似文献
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The syntheses of ball-type dinuclear Zn(II) and Mg(II) phthalocyanines containing four 4,4′-isopropylidendioxydiphenyl substituents at the peripheral and non-peripheral positions are presented. The structures of the synthesized compounds were characterized using elemental analyses, and UV-Vis, FT-IR, 1H NMR and mass spectroscopies. The ΦF values were 0.14, 0.11, 0.22, 0.15 and ΦT values were 0.84, 0.88, 0.62, 0.74, for 6-9, respectively. The largest triplet yields were observed for the non-peripherally substituted complexes 6 and 7, showing that non-peripheral substitution favors increased population of the triplet state. All complexes showed reasonably long triplet lifetimes with τT 510, 310, 910 and 350 μs in DMSO, respectively. 相似文献