• Title/Summary/Keyword: Organic single crystal

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Crystal and Molecular Structure of 12-(2-Methoxyphenyl)-9-[(4-methylbenzene)sulfonyl]-22-oxo-13,21-dioxa-9-azapentacyclo [12.8.0.02,11.03,8.015,20]docosa-1(14),3,5,7,15(20),16,18-heptaene-11-carbonitrile

  • Ganapathy, Jagadeesan;Damodharan, Kannan;Manickam, Bakthadoss;Sanmargam, Aravindhan
    • Journal of Integrative Natural Science
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    • v.7 no.3
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    • pp.149-158
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    • 2014
  • The crystal structure of the title compounds with both coumarin and sulfonamide moieties were examined. These two groups have very special for their pharmaceutical and medicinal properties have been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group $P2_1/c$ with unit cell dimension a=$8.5775(4){{\AA}$, b=$24.9943(13){\AA}$ and c=$13.7319(7){\AA}$ [alpha & gamma=$90^{\circ}$ beta=$103.558(2)^{\circ}$]. In the structure The S1 atom shows a distorted tetrahedral geometry, with O1-S1-O2 [$121.08(1)^{\circ}$] and N1-S1-C5 [$105.85(1)^{\circ}$] angles deviating from ideal tetrahedral values are attributed to the Thrope-Ingold effect. The sum of bond angles around N1 ($354.9^{\circ}$) indicates that N1 is in $sp^2$ hybridization. The Pyridine ring adopts boat conformation and pyran rings adopt a sofa conformation. Crystal structure is stabilized by C-H...O intra molecular hydrogen bond interactions.

Quantitative Analysis of SO2 and NO2 Adsorption and Desorption on Quartz Crystal Microbalance Coated with Cobalt Gallate Metal-Organic Framework

  • Junhyuck Ahn;Taewook Kim;Sunghwan Park;Young-Sei Lee;Changyong Yim
    • Journal of Sensor Science and Technology
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    • v.32 no.3
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    • pp.147-153
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    • 2023
  • Metal-organic frameworks (MOFs) of cobalt gallate were synthesized and deposited on gold electrodes using self-assembly monolayers (SAMs) and hydrothermal processing. These MOF films exhibit strong adsorption capabilities for gaseous particulates, and the use of SAMs allows the synthesis and deposition processes to be completed in a single step. When cobalt gallate is mixed with SAMs, a coordination bond is formed between the cobalt ion and the carboxylate or hydroxyl groups of the SAMs, particularly under hydrothermal conditions. Additionally, the quartz crystal microbalance (QCM) gas sensor accurately measures the number of particulates adsorbed on the MOF films in real-time. Thus, the QCM gas sensor is a valuable tool for quantitatively measuring gases, such as SO2, NO2, and CO2. Furthermore, the QCM MOF film gas sensor was more effective for gas adsorption than the MOF particles alone and allowed the accurate modeling of gas adsorption. Moreover, the QCM MOF films accurately detect the adsorption-desorption mechanisms of SO2 and NO2, which exist as gaseous particulate matter, at specific gas concentrations.

A Series of 3D Lanthanide Complexes Containing (La(III), Sm(III) and Gd(III)) Metal-organic Frameworks: Synthesis, Structure, Characterization and Their Luminescent Properties

  • Zhang, Huai-Min;Yang, Hao;Wu, Lan-Zhi;Song, Shuang;Yang, Li-Rong
    • Bulletin of the Korean Chemical Society
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    • v.33 no.11
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    • pp.3777-3787
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    • 2012
  • Three kinds of 3D isomorphous and isostructural coordination polymers, namely, $\{[Ln_2(PDA)_3(H_2O)_3]{\cdot}0.25H_2O\}_{\infty}$ (Ln = La(1), Sm(2), and Gd(3)) ($PDA^{2-}$ = pyridine-2,6-dicarboxylate anion) have been synthesized under hydrothermal conditions and characterized by elemental analyses, IR spectroscopy, thermal analyses and single crystal X-ray diffraction. In these MOFs, Ln(III) centers adopt eight-coordinated and nine-coordinated with the $N_1O_7$ and $N_2O_7$ donor sets to construct distorted trianglar dodecahedron geometry and tricapped trigonal prism configurations, respectively. Based on the building block of tetranuclear homometallic $Ln_4C_4O_8$ unit (16-membered ring), 1-3 are connected into highly ordered 2D sheets via O-C-O linkers and further constructed into 3D architectures through hydrogen bonds. Crystallographic parameters suggest that the lanthanide contraction effect exist in these coordination polymers. Luminescent properties of the lanthanide-based MOFs (metal-organic frameworks) have been measured at room temperature, which reveal that they presenting ionselective characters toward certain metals, such as $Mg^{2+}$, $Cd^{2+}$ and $Pb^{2+}$ ions.

Studies on the growth of organic single crystals of urea and THAMP (Urea와 THAMP 유기 단결정의 육성에 관한 연구)

  • 임창성;황완인;김판채
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.5 no.3
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    • pp.223-232
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    • 1995
  • Abstract Urea($(NH_2)_2CO$) and THAMP (Tris(hydroxymethyl) aminomethane phosphate) are new organic nonlinear optical materials (NLO) for the device application such as the frequency conversion of laser radiation. The single crystals of urea and THAMP have been grown by the falling temperature method and the temperature difference method. The crystal growth parameters were presented associated with the molphology of the grown crystals. Based on the solubility measurements, methanol was a suitable solvent for the growth of urea. The solubilities of urea have a positive temperature coefficient and the heat of solution of urea was estimated to be -2.58 kcal/mol. The grown crystals of urea have the preferential growth habit in the z-axis. Additives such as $NH_4_H_2PO_4$, KCL, $H_3PO_4$, $CaCl_2{\cdot}2H_2O$, $C_2H_5OH$ were used for the favourable growth in the x - and y-axis and the preventive growth in the z-axis. The moleratio of THAM and H3P04 for the solution of THAMP was 1 : 1. The solubilities of THAMP have a positive temperature coefficient. The heat of solution was estimated to be - 1.70 kcal/ mol.

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Characterization of Li+-ion Exchanged Zeolite Y using Organic Solvents

  • Kim, Hu Sik;Lee, Seok Hee;Park, Kyun Hye;Park, Yong Hyun;Park, Jun Woo;Hwang, Ji Hyun;Park, Jong Sam;Choi, Sik Young;Lim, Woo Taik
    • Korean Journal of Soil Science and Fertilizer
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    • v.48 no.3
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    • pp.180-188
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    • 2015
  • To investigate the tendency of $Li^+$ exchange from polar organic solvents, $Li^+$-ion exchange into zeolite Y (Si/Al = 1.56) was attempted by undried methanol (crystal 1) and formamide (crystal 2) solvent. Two single crystals of Na-Y were treated with 0.1 M LiNO3 in each of the two solvents at 323 K, followed by vacuum dehydration at 723 K. Their structures were determined by single-crystal synchrotron X-ray diffraction techniques in the cubic space group $Fd{\bar{3}}m$, at 100(1) K. In both structures, $Li^+$ for $Na^+$ ions filled preferentially sites I' and II. The remaining $Na^+$ ions occupied sites I', II, and III' in both structures, in additional to above sites, and $Na^+$ ions occupied site I in crystal 2. While the 68 % exchange of $Li^+$ for $Na^+$ was achieved from undried methanol, only 40 % exchange was observed from undried formamide, indicating that the undried methanol was more effective than undried formamide as solvent for $Li^+$ exchange under the conditions employed.

Synthesis, Crystal Structures and Properties of Two Binuclear Supramolecular Complexes Based on Biphenyl-2,2'-dicarboxylic Acid Ligand

  • Tang, Jin-Niu;Pan, Gang-Hong;Li, Long;Tian, Wei-Man;Huang, Zhong-Jing
    • Bulletin of the Korean Chemical Society
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    • v.34 no.2
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    • pp.374-378
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    • 2013
  • Two novel binuclear metal-organic coordination complexes [$Cd_2(Hdpa)_4(bpy)_2$] (1), [$Dy_2(dpa)_2(bpy)_2(NO_3)_2-(H_2O)_2$](bpy) (2) (where $H_2dpa$ = biphenyl-2,2'-dicarboxylic acid, bpy = 2,2'-bipyridine) have been synthesized under hydrothermal conditions and characterized by single crystal X-ray diffraction, spectral method (IR), elemental analysis (EA), powder X-ray diffraction (XRD), electronic spectra (UV-vis), fluorescent in the solid state and thermogravimetric analysis (TGA). Complexes 1-2 crystallizes isomorphously in the Triclinic space group P-1. The ${\pi}-{\pi}$ stacking interactions and hydrogen-bonds play a vital role in determining the crystal packing and construction of the extended 3-D supramolecular network.

Fabrication of Single Crystal Poly (3,4-ethylenedioxythiophene) Nanowire Arrays by Vapor Phase Polymerization with Liquid-bridge-mediated Nanotransfer Molding

  • Lee, Gi-Seok;Jo, Bo-Ram;Seong, Myeong-Mo
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.372-372
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    • 2012
  • We have studied a fabrication of Poly (3,4-ethylenedioxythiophene) (PEDOT) wire arrays and structures with various feature sizes from hundreds micrometers to tens nanometers. PEDOT is well-known as a conducting material, can be grown by a vapor pressure polymerization (VPP) method. The VPP technique is a bottom-up processing method that utilizes the organic arrangement of macromolecules to easily produce ordered aggregates. Also, liquid-bridge-mediated nanotransfer molding (LB-nTM), which was reported as a new direct patterning method recently, is based on the direct transfer of various materials from a mould to a substrate through a liquid bridge between them. The PEDOT nanowires grown by VPP method and transferred on a substrate to use LB-nTM method have been investigated by Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Selected Area Electron Diffraction (SAED), X-Ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), and electrical properties.

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Si기판을 이용한 대면적 CdTe 박막의 MOCVD성장

  • Kim, Gwang-Cheon;Im, Ju-Hyeok;Yu, Hyeon-U;Jeong, Gyu-Ho;Kim, Hyeon-Jae;Kim, Jin-Sang
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2009.11a
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    • pp.275-275
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    • 2009
  • CdTe(331)/Si(211) and CdTe(400)/Si(100) thin films have been grown by MOCVD(metal organic chemical vapor deposition) system for large scale of IFPAs(IR focal plane arrays). We have investigated the effect of various growth parameters on the surface morphology and structural quality. Single crystalline CdTe(331) films were grown by two stage growth method - low temperature buffer layer step and high temperature growth step. In other case, single crystal of CdTe(400) films were grown on a few atomic layer thickness of GaAs which is grown on Si(100) substrate by molecular beam epitaxy. The crystalline quality of the films was analyzed by X-ray diffraction. The surface morphology and crystal structure of CdTe films were characterized by optical microscope.

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