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Synthesis, Crystal Structure and Fluorescent Property of a Onedimensional Coordination Polymer Constructed By 1,3-Bis(1,2,4-Triazol-1-Ylmethyl)- Benzene And 4,4′-Oxydiphthalic Acid
摘要： A one-dimensional Cd(II) complex [Cd(H3ODPT)2(MBTZ)2?2H2O]n (1) (MBTZ = 1,3-bis(1,2,4-triazol-1-yl-methyl)benzene, H4ODPT = 4,4′-oxydiphthalic acid) is synthesized and characterized using single crystal X-ray diffraction, IR spectroscopy, and elemental analysis. Single crystal X-ray diffraction analysis reveals that complex 1 is a one-dimensional double chain polymer containing 24-membered rings with MBTZ ligands as the bridges arranged parallel to the b crystal direction, while the singly deprotonated H4ODPT ligands are extended on both sides of such double chains. In addition, the luminescence measurements reveal that complex 1 exhibits strong fluorescent emission in the solid state at room temperature.
关键词： 4,4′-oxydiphthalic acid,1,3-bis(1,2,4-triazol-1-ylmethyl)benzene,fluorescent property,Cd(II) complex,crystal structure
更新于2025-09-23 15:23:52
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Syntheses, Crystal Structures, and Fluorescence Properties of Two 2D→2D Coordination Polymers Based on the Flexible 4-Substituted Bis(1,2,4-triazole) Ligand
摘要： Two new 2D → 2D zinc(II) coordination polymers, [Zn(btre)0.5(nbdc)(H2O)]n (1) and {[Zn(btre)0.5(MeOip)(H2O)2]·H2O}n (2) (btre = 1,2-bis(1,2,4-triazol-4-yl)ethane, nbdc=3-nitro-1,2-benzenedicarboxylate, MeOip=4-methoxybenzene-1,3-dicarboxylate) were synthesized at room temperature condition and characterized by IR spectra, elemental analyses, single-crystal and powder X-ray diffractions. Three sets of equivalent 2D (6, 3) networks parallel polycatenated with each other to give a 2D → 2D network in 1 and 2. There are strong π-π interactions and hydrogen bonding interactions between adjacent parallel polycatenated 2D (6, 3) network in 1. Only hydrogen bonding interactions exist in 2. Thermal stabilities and luminescence of 1 and 2 were investigated.
关键词： 2D (6, 3) network,luminescence,1,2-bis(1,2,4-triazol-4-yl)ethane,3-fold interpenetration
更新于2025-09-23 15:23:52
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Photoconducting Devices with Response in the Visiblea??Near-Infrared Region Based on Neutral Ni Complexes of Aryl-1,2-dithiolene Ligands
摘要： Metal bis(1,2-dithiolene) complexes belonging to the class [Ni(Ar-edt)2]x? [Ar-edt2? = arylethylene-1,2-dithiolate; Ar = phenyl, (1x?), 2-naphthyl (2x?); x = 0 and 1] were fully characterized by NMR, UV?visible?near-infrared (UV?vis?NIR), diffuse reflectance, and FT-IR spectroscopy, as well as cyclic voltammetry and single-crystal X-ray diffraction analysis. These complexes have emerged as new photoconducting materials that allowed for the development of a prototype of photodetectors with response in the vis?NIR region. The photodetecting devices showed in some cases quantum efficiencies orders of magnitude higher than those of previously reported 1,2-dithiolene systems.
关键词： vis?NIR region,photoconducting materials,photodetectors,Metal bis(1,2-dithiolene) complexes,quantum efficiencies
更新于2025-09-23 15:19:57
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The photophysical properties and electronic structures of bis[1]benzothieno[6,7-d:6',7'-d']benzo[1,2-b:4,5-b']dithiophene (BBTBDT) derivatives as hole-transporting for organic light-emitting diodes (OLEDs)
摘要： By using the quantum methods DFT and TD-DFT in this paper, the optoelectronic properties and electronic structures of eight compounds Ci (i=1-8) based on bis[1]benzothieno[6,7-d:6',7'-d']benzo[1,2-b:4,5-b']dithiophene (BBTBDT) with D-π-D structure for Ci (i=1-5); and D-π-A for Ci (i=6-8) have been calculated and discussed theoretically in the aim to consider them as hole-transporting materials (HTM) in OLEDs. The calculated electronic levels by B3LYP of studied compounds show that the proper energy of Ci (i=6-8) is so matching for efficiency injecting into hole-injection layer (HIL). The compounds having D-π-A structure seem more efficient than those having D-π-D structure. The optoelectronic properties for studied compounds obtained by TD-CAM-B3LYP elucidate that C6, C7 and C8 compounds behave as electron donating molecules and induce charge transfer character in the UV-visible absorptions and emission electronic spectra. Furthermore, the calculated reorganization energies, ionization potential (IP) and electron affinity (EA) also provide that the extended C6, C7 and C8 compounds have the highest charge-transporting ability among all compounds. It is found that the D-π-A more influence on the electronic and optoelectronic properties than the D-π-D structure. The assumed compound C7 is found to be a good candidate for blue-emitting material. Understanding these properties is important to design HTMs with exceptional properties, such as stability and high efficiency.
关键词： B3LYP,DFT,bis[1]benzothieno[6,7-d:6',7'-d']benzo[1,2-b:4,5-b']dithiophene (BBTBDT),OLEDs
更新于2025-09-11 14:15:04