• Analytical Science and Technology
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• v.18 no.4
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• pp.278-286
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• 2005

The crystal structure of ($Tl_{71}$-Y ($Tl_{71}Si_{121}Al_{71}O_{384}$), ${\alpha}=24.706(3){\AA}$, dehydrated at 653 K and $8{\times}10^{-6}$ torr, has been determined by single-crystal X-ray diffraction techniques in the cubic space group $Fd\bar{3}m$ at 294(1) K. The structure was refined using all intensities to the final error indices (using only the 302 reflection for which $F_{\circ}$ > $4{\sigma}(F_0)$) $R_1=0.0602$ (based on F) and $R_w=0.1744$ (based on $F_2$). The 71 $Tl^+$ ions per unit cell are found at four crystallographically distinct positions. Site I' position in the sodalite cavity opposite D6Rs are each occupied by eighteen $Tl^+$ ions per unit cell; these $Tl^+$ ions are recessed ca. $1.45{\AA}$ into the sodalite cavity from their O(3) plane (Tl-O=2.701(15), $3.163(16){\AA}$ and O-Tl-O=$92.1(4)^{\circ}$). The 23 $T1^+$ ions fill site II in the supercage; these $T1^+$ ions are recessed ca. $1.58{\AA}$ into the supercage from their O(2) plane (Tl-O = 2.850(16), $3.156(16){\AA}$ and O-T1-O = $85.1(5)^{\circ}$). The 19 $Tl^+$ ions lie at site III' in the supercage near a triple 4-ring (Tl-O = 3.10(7), $3.39(5){\AA}$ and O-Tl-O = 47.8(9), $95.3(18)^{\circ}$) and the remaining II ions occupy another site III' near a triple 4-ring in the supercage (Tl-O = 2.81(4), $2.71(4){\AA}$ and O-Tl-O = $57.3(8)^{\circ}$).

• Electrical & Electronic Materials
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• v.10 no.2
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• pp.105-112
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• 1997

Undoped and Co$^{2+}$-doped Zn$_{4}$GeSe$_{6}$ single crystals were grown by the Chemical Transport Reaction method using iodine as a transporting agent. The crystal structure of these compounds determined by X-ray diffraction analysis was monoclinic structure. The direct energy gaps of these compounds were measured and the temperature dependence of the optical energy gap were closely investigated over the temperature range 10-290K. The temperature dependence of the optical energy gap is well presented by the Varshni equation. Also the optical absorption peaks of Zn$_{4}$GeSe$_{6}$ :Co$^{2+}$ single crystal observed, centered at 5437, 6079, 7142, 12950, 13462, 14786 and 15735 $cm^{-1}$ /, can be explained in terms of the electronic transitions of Co$^{2+}$ ions located at Td symmetry of the host materials. According to the crystal-field theory, the crystal-field, Racah and spin-orbit coupling parameters obtained from the absorption bands are given by Dq = 361$cm^{-1}$ /, B = 655$cm^{-1}$ / and .lambda. = 284$cm^{-1}$ / respectively.ively.

• Bulletin of the Korean Chemical Society
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• v.22 no.11
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• pp.1224-1230
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• 2001

Single crystals of nanocomposite [GaO4Al12(OH)24(H2O)12][Al(OH)6Mo6O18]2(OH)${\cdot}$30H2O, 2, were obtained by the reaction between [GaO4Al12(OH)24(H2O)12]7+ and [Mo7O24]6- clusters in an aqueous solution, analogously to the [AlO4Al12(OH)24(H2O)12][Al(OH)6Mo6O18]2(OH)${\cdot}$29.5H2O nanocomposite, 1. The crystal structure of 2 was determined by single crystal x-ray diffraction; space group $C2}c$ (No. 15), a = 27.418(2) $\AA$, b = 15.647(2) $\AA$, c = 23.960(4) $\AA$, $\beta$ = $102.850(9)^{\circ}$, V = 10,021.5(20) $\AA3$ , Z = 4. Detailed analysis of the structural data show that the clusters are held by intimate hydrogen bondings of the surface O2- and OH- groups of the clusters as well as the ionic interactions between the oppositely charged cluster ions.

• Bulletin of the Korean Chemical Society
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• v.30 no.5
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• pp.1021-1025
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• 2009

A novel supramolecular network containing binuclear copper unit $[Cu(phen)_{2}({\mu}-ID\;A)Cu(phen){\cdot}(NO_{3})](NO_{3}){\cdot}4(H_{2}O)$ (1) was synthesized through the self-assembly of iminodiacetic acid ($H_2IDA$) and 1,10-phenanthroline (phen) in the condition of pH = 6. It has been characterized by the infrared (IR) spectroscopy, elemental analysis, single crystal X-ray diffraction, and thermogravimetric analysis (TGA). 1 shows a 2-D supramolecular structure assembled through strong and unique $\pi-\pi$ packing interactions. Density functional theory (DFT) calculations show that theoretical optimized structures can well reproduce the experimental structure. The TGA and powder X-ray diffraction (PXRD) curves indicate that the complex 1 can maintain the structural integrity even at the loss of free water molecules. The magnetic property is also reported in this paper.

• Bulletin of the Korean Chemical Society
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• v.33 no.7
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• pp.2299-2304
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• 2012

Two new metal(II) complexes, $[Mn(dpa)(phen)(H_2O)_2]_n$ (1) ($H_2dpa$ = dephenic acid, phen = 1,10-phenanthroline) and $[Ni_2(nda)(phen)_2(H_2O)_6](nda)(H_2O)$ (2) ($H_2nda$ = 2,6-naphthalenedicarboxylic acid) have been synthesized and characterized by elemental analysis, infrared spectroscopy, thermogravimetric analysis, and single crystal X-ray diffraction. In complex 1, Mn(II) ion is six-coordinated, and Mn(II) ions are bridged by dpa ligands into 1D chains. While, the complex 2 is dimer and two Ni(II) ions are bridged by one nda ligand cooperated with the terminal ligand phen. In each complex, the dicarboxylate ligand is coordinated to metal(II) ions as a bis-monodentate.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.11b
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• pp.1-6
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• 2004

In this paper author describe the undoped and $Co^{2+}$ (0.5mole%)doped $Cd_4GeS_6$ single crystals were grown by the chemical transporting reaction(CTR) method using high purity(6N) Cd, $GeS_2$, S elements. It was found from the analysis of X-ray diffraction that the undoped and $Co^{2+}$(0.5mole%) doped $Cd_{4}GeS_{6}$ compounds have a monoclinic structure in space grop Cc. The optical energy band gap was direct band gap and temperature dependence of optical energy gap was fitted well to Varshni equation. Impurity optical absorption peaks due to the doped cobalt in the $Cd_4GeS_6:Co^{2+}$ single crystal were observed at 3593cm-1, 5048cm-1, 5901cm-1, 7322cm-1, 12834cm-1, 13250cm-1, 14250cm-1，and 14975cm-1 at 11.3K.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2006.05a
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• pp.27-30
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• 2006

In this paper, the undoped and Co-doped $Zn_4SnSe_6$ single crystals grown by the chemical transporting reaction(CTR) method using iodine as a transporting agent are investigated. For the crystal growth, the temperature gradient of the CTR furnace was kept at $680^{\circ}C$ for the source zone and at $780^{\circ}C$ for the growth zone for 7days. It was found from the analysis of x-ray diffraction that the $Zn_4SnSe_6$ and $Zn_4SnSe_6Co^{2+}$ compounds have a monoclinic structure. The direct optical energy band gap of the $Zn_4SnSe_6$ and $Zn_4SnSe_6Co^{2+}$ single crystals at 300K were found to be 2.146eV and 2.042eV.

• Bulletin of the Korean Chemical Society
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• v.30 no.4
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• pp.846-848
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• 2009

Two modifications of the ${\alpha}\;and\;{\beta}$ forms of propyl mercaptan nickel(II) cluster, [$Ni_6(SCH_2CH_2CH_3)_{12}$], have been synthesized and their crystal structures have been determined by single-crystal X-ray diffraction. The alkyl groups are away from $Ni_6$ ring in $\alpha$ form whereas they are near to the Ni atom in $\beta$ form. The distance of Ni-H in $\beta$ form [2.576(5) $\AA$] is much shorter than that in $\alpha$ form [3.101(2) $\AA$]. In the crystal lattice of $\beta$ form, the whole structure forms a flower shape.

• Journal of Sensor Science and Technology
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• v.12 no.1
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• pp.16-23
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• 2003

Thermoluminescent properties of $Li_2B_4O_7$ single crystal grown by Czochralski method have been investigated. The high quality $Li_2B_4O_7$ single crystal without core was obtained at rotation speed of 10 rpm for seed crystal and pulling speed below $0.18\;mm{\cdot}h^{-1}$. The structure of $Li_2B_4O_7$ single crystal was classified as tetragonal by XRD analysis. The TL glow curve was composed with three overlapped peaks which can be easily deconvoluted and the TL response of $Li_2B_4O_7$ single crystal TLD to X-ray radiation is linear within the range of $50\;mGy{\sim}1.5\;Gy$. Activation energies of three TL glow peaks analyzed by the various heating rates method and PL spectrum were 0.93, 1.78 and 2.25 eV, respectively.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.32 no.5
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• pp.199-204
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• 2022

A new three-dimensional Gd-MOF, [Gd(p-XBP4)₄(H₂O)]·W(CN)₈; (1; p-XBP4 = N,N'-p-phenylenedimethylenbis (pyridin-4-one)) has been synthesized by slow-evaporation and its crystal structure was characterized by single-crystal X-ray diffraction (SCXRD) analysis. For each Gd^III ion, there are seven coordination sites, which are occupied by six oxygen atoms of six p-XBP4 ligands and one oxygen atom from the water molecule. The [W(CN)₈]^3- anion exists for charge balance with cationic framework. The Gd^II ions are interconnected by the p-XBP4 ligand to form the three-dimensional structure. Considering the magnetic property of lanthanide ions, magnetic studies of Gd-MOF were investigated by direct-current (DC) magnetic susceptibilities measurements.