• Title/Summary/Keyword: 단사정계

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Synthesis and Optical Properties of $YNbO_4:RE^{3+}$ (RE=Eu, Dy) Phosphors

  • Park, Seong-Jun;Jo, Sin-Ho
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.174.1-174.1
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    • 2013
  • 최근에 우수한 광학적 특성과 높은 화학적 안정성을 갖는 적황색 형광체 개발에 많은 노력이 경주되고 있다. 본 연구에서는 고상반응법을 사용하여 모체 결정 $YNbO_4$$Eu^{3+}$$Dy^{3+}$이온의 농도를 각각 체계적으로 치환 고용하여 발광 효율이 높은 적색과 황색 형광체를 제조하였다. 특히, $Eu^{3+}$$Dy^{3+}$이온의 농도를 달리하여 합성한 형광체 분말의 결정구조, 표면형상, 흡광과 발광 스펙트럼을 비교 분석하여 최적의 이온 농도를 조사하였다. 합성된 형광체 분말의 회절상은 $Eu^{3+}$$Dy^{3+}$이온의 함량비에 관계없이 모든 형광체 분말 시료는 약 $28,6^{\circ}$ 에서 최대값을 갖는 (021)면에서 발생하였고, 형광체 분말은 JCPDS #72-2077에 제시된 회절상과 일치하는 단사정계 결정 구조임을 확인 하였다. $Dy^{3+}$이온의 함량비가 0.01 mol에서 주 회절 피크의 세기는 최대이었으며, 함량비가 더욱 증가함에 따라 회절 피크의 세기는 점점 감소하였다. 이에 반하여, $Eu^{3+}$가 도핑된 형광체는 함량비가 0.15 mol일때 최대 회절피크가 관측되었다. $Dy^{3+}$이온이 도핑된 $YNbO_4$ 형광체의 경우에 두 종류의 흡광 스펙트럼이 관측되었다. 첫째는 약 267 nm를 피크로 하여 230~300 nm 영역에 걸쳐 폭넓게 분포하는 흡광 스펙트럼이고, 두 번째는 약 356, 393, 456 nm에 피크를 갖는 상대적으로 세기가 약하고 밴드폭이 좁은 흡광 스펙트럼이 관측되었다. $Eu^{3+}$이온이 도핑된 형광체 분말의 주 흡광 스펙트럼은 약 270 nm에 피크를 갖는 폭넓게 분포하는 전하전달 밴드이었다. $YNbO_4$ 형광체 분말의 발광 스펙트럼은 $Eu^{3+}$이온이 도핑된 경우에 620 nm에 강한 세기를 갖는 적색 발광이 관측되었고, $Dy^{3+}$이온이 도핑된 경우에는 580 nm에 최대 발광세기를 갖는 황색 발광 스펙트럼이 나타났다.

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X-Ray Crystal Structure Determination of Diazatricyclodione (디아자트리사이클로디온의 X선 결정구조 결정)

  • Kim, Sang-Su;An, Jong-Il;Han, Bo-Seop
    • Korean Journal of Crystallography
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    • v.1 no.2
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    • pp.84-90
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    • 1990
  • 1,3-Diazatricyclo (5.2.1.Os .to) decane-2,11-dione , C8H10N2O2. MW=166.15, Monoclinic, P2/n a= 6.585(7) , b=9.089(4), c=12.937(10)A, β=95.72(5)˚, V=770.4A3, Z=4, Dc=1.43(4) g/cm3, λ (Mo Ka)=0.7093A, r=1.Ocm-1, T=295˚K, final R=0.037 for 698 unique observed reflections. The compound is the product of the intramolecular (2+2) photocycloaddition of Nl-(w-butenyl)uracil and belongs to a (5.2.1.O5.10) tricyclic system. A pair of molecules related by the inversion symmetry are held together by the strong hydrogen bonding interactions between 02 and H3 of the uracil moiety.

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The Crystal and Molecular Structure of Dipropargyldiphenylmethane (디프로파질디페닐메탄의 결정 및 분자구조)

  • Ahn Choong Tai;Choi Sam-Kwon
    • Journal of the Korean Chemical Society
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    • v.37 no.5
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    • pp.473-476
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    • 1993
  • Dipropargyldiphenylmetane, $C_{19}H_{16}, crystallizes in a monoclinic space group $C2/_c$$ with a = 11304(3), b = 20.799(5), c = 6.622(2)${\AA}$, ${\beta} = 112.8(3)^{\circ}$, Z = 4, V = 1435.3${\AA}^3,\;F(000)\;=\;520,\;D_c\;=\;1.14g{\cdot}cm^{-3}$ and ${\mu}\;=\;0.32\;cm^{-1}$. The structure was solved by direct methods and all non-H atoms were identified in the E-map. The final refinement gave R = 0.055 from 1328 unique observed reflections with I $\geq$ -1.0 $\sigma(I).$ The molecule belongs to the point group $C_2$ of Symmetry by possessing the 2-fold axis which coincides witeh the crystallographic symmetry axis in the unit cell. The linear propargyl moiety is nearly $perpendicular(94.2)^{\circ}$ to the molecular plane of the benzene ring. The internal angle of methane carbon atoms in $108.1(1)^{\circ}$, bonding to the benzene and the propargyl moiety with the bond lengths of 1.530(2) and $1.560(2)\AA$, respectively. The shortest contant between the molecules is $3.538(2)\AA$ between C(9) and C(9) (-x, y, -1/2-z).

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Synthesis, Structure and Characterization of Nd2XCd2-3XSiO4 (0.01≤X≤0.21) Solid-Solutions (Nd2XCd2-3XSiO4 (0.01≤X≤0.21) 고용체의 합성과 구조 규명)

  • Ramesh, S.;Das, B.B.
    • Journal of the Korean Chemical Society
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    • v.55 no.3
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    • pp.502-508
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    • 2011
  • Synthesis of $Nd_{2x}Cd_{2-3x}SiO_4$ ($0.01{\leq}x{\leq}0.21$) [S1-S3: x=0.01, 0.11 and 0.21] solid solutions were prepared by solgel method. Powder x-ray diffraction (XRD) results show monoclinic unit cell with space group P21/m. The average crystallite sizes are found to be 20 to 45 nm. The Scanning Electron Microcopy (SEM) images show morphology of the sample is in globular nature. The energy dispersive analysis of x-rays (EDX) and X-ray mapping results confirmed that all the constituent elements of the composites were present and that were distributed in uniformly. The optical absorption band at ~750 nm was due to $^4I_{9/2}{\rightarrow}^4F_{7/2}+^4S_{3/2}$ transition optically active $Nd^{3+}$ ions. Electron Paramagnetic Resonance (EPR) lineshapes of S1-S3 at 10, 40, 77 and 300 K show a broad unresolved isotropic lineshapes were observed due to rapid spin lattice relaxation of $Nd^{3+}$.

Crystal Structure and Fungicidal Activity of N-[1-(benzotriazol-1-yl)alkyl]aniline Derivatives (N-[1-(benzotriazol-1-yl)alkyl]aniline 유도체의 결정구조와 항균활성)

  • Lim, Chi-Whan;Yi, Kyeong-Joon;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.38 no.4
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    • pp.359-363
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    • 1995
  • New ten N-[1-(benzotriazol-1-yl)alkyl]aniline(4) derivatives were synthesized and the crystal structure of 4h was shown by X-ray crystallography and the absolute configuration has been assigned as S form. The molecule crystallizes in the monoclinic system, space group $P2_{1}/n$. And the molecules in the crystal are linked with each other through the hydrogen bond $(N_{11}-H_{11}{\cdots}N3)$ with distance $2.300(11){\AA}$ The fungicidal activity($pI_{50}$) in-vitro against Botrytis cineria (BC), Phytophthora casici (PC) and Sclerotium cepinorum (SC) were determined by the agar dilution method. The structure activity ralationships (SAR) between structure of 4 and the activity were studied using a physicochemical parameters of substituents and multiple regression technique. Among these compounds, only the bromo group substituent(4f) showed higher activity, which depend on the hydrophobic(${\pi}$) of substituents. The relative orders of the activity are SC>BC> and PC, respectively. This implies that the activity is affected by the hydrophobic(${\pi}$) nature of the Z group rather than the X group. Linear free energy relationships(LFER) on the fungicidal activity with substituents has been also discussed.

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The Crystal and Molecular Structure of (dl)-2-Benzyl-4-ethylester-5-(p-methylphenyl)-3H,5H,6H-1,2,6-thiadiazine-1,1-dioxide, $C_{20}H_{22}N_2O_4S$ ((dl)-2-Benzyl-4-ethylester-5-(p-methylphenyl)-3H,5H,6H-1,2,6-thiadiazine-1,1-dioxide, $C_{20}H_{22}N_2O_4S$의 結晶 및 分子構造)

  • Shin, Hyun-So;Kim, Euisung;Song, Hyun;Lee, Chai-Ho
    • Journal of the Korean Chemical Society
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    • v.39 no.5
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    • pp.344-349
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    • 1995
  • The crystal and molecular structure of the title compound has been determined from 2568 reflections collected on an automatic CAD4 diffractometer using graphite-monochromated $Mo-K\alpha$ radiation. The crystal is monoclinic system, space group $P2_1$ with unit cell dimensions $a=8.756(8)\AA$, $b=25.757(2)\AA$, $c=8.628(1)\AA$, $\beta=99.15(4)^{\circ}$, V= 1,921(2) ${\AA}^3$, Z=4, $D_C=1.336\;g/cm^3$, ${\mu}=1.54\;cm^{-1}\;and\;T=298^{\circ}K$. The final R factor was 0.051 for 2049 reflections over $3{\sigma}(Fο).$ The crystal has two asymmetric molecules in the unit cell. The arrangement of sulfon group was shown a distorted tetrahedron structure and N(6), N(6') atoms were deviated from the least-squares planes of the thiadiazine rings, respectively. The molecular packings in the unit cell are linked by the two intermolecular hydrogen bonds of N-H---O type and van der Waals forces.

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X-ray Analys is of the Thermotropic Liquid Crystalline Copolyester Poly(1 -phenylethylpphenylene-tere phthalate) (열방성 액정폴리에스터Poly(1-phenylethyl.p-phenyleneterephthalate)의 X-선 결정구조해석)

  • 홍성권
    • Korean Journal of Crystallography
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    • v.2 no.2
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    • pp.13-21
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    • 1991
  • X-ray methods have been used to determine the chain conformation and packing of the thermotropic liquid crystalline copolyester prepared from 50% tarephthaloyl chloride(TPA) and 50% (1-phenylethyl) hydroquinone(PEHQ). The x-ray patterns of annealed melt-spun fibers contain a series of annealed melt-Pointing to a well ordered crystalline structure, despite the random sense(2 or 3-) of the 1-phenylethyl substiuttion on the TPA-hydroquinone backbone. The crystalline fiber is monoclinic with space group P2l and the unit cell has dimensions 11=12.77 A, b=10.17 A (upique axis), c=12.58 h (fiber axis). and β=90.1° and contains TPA-PEHO units of to or chains. The random substitution of 1-phenylethyl groups was modelled by placing these groups at both the 2and 3 positions and giving each a weight of one-hal(. T he structure has been refined by linked a rom least square methods(LALS) against 16 observed and 21 unobserved reflections. and had a final R value of 0.20. Packing of the side chains is effected by staggering adjacent chains along the b axis by approximately c/2, so that the side chains are interleaved. The phenyl-COO and COO-phenyl torsion angles are -6.1 and 65.6, respectively, such that the main chain phenyls are mutually inclined at 59.5 (the ester groups are assumed to be planar). These torsion angles compare very well with those for the model compounds, notably phenylbenzoate, and can be used in future analyses of the structures of more complex random sequence copolyesters.

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Synthesis of Dimethyl Carbonate from Methanol and Supercritical Carbon Dioxide over K2CO3/ZrO2 Catalysts (메탄올과 초임계 이산화탄소로부터 K2CO3/ZrO2 촉매를 이용한 디메틸카보네이트 (Dimethyl Carbonate) 합성)

  • Hong, Seung Tae;Park, Hyung Sang;Lim, Jong Sung;Yoo, Ki-Pung
    • Korean Chemical Engineering Research
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    • v.46 no.3
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    • pp.550-554
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    • 2008
  • The synthesis of dimethyl carbonate (DMC) from methanol and supercritical carbon dioxide over $K_2CO_3/ZrO_2$ catalysts have been studied. The catalysts were prepared by impregnating $ZrO_2$ with an aqueous $K_2CO_3$ solution. The optimum calcination temperature to disperse K species on the $ZrO_2$ surface was found to be 673 K. Monoclinic $ZrO_2$ was not active, as itself, for the DMC production. However, when the $K_2CO_3$ was impregnated on the $ZrO_2$, the catalytic performance was improved. Besides the catalyst, $CH_3I$ was used as a promoter. The $CH_3I$ promoter as well as the $K_2CO_3/ZrO_2$ catalyst was found to take an important role to improve the production of DMC. The optimum quantities for the catalyst and the promoter were estimated. The effect of the catalyst and the promoter for the DMC synthesis from methanol and supercritical carbon dioxide was investigated and the reaction mechanism was proposed.

Preparation of CaO-SiO2-B2O3 Glass-ceramics and Evaluation of Bioactivity Using in-vitro Test (CaO-SiO2-B2O3계 결정화 유리의 제조와 in-vitro법을 이용한 생체활성 평가)

  • Ryu, Hyun-Seung;Seo, Jun-Hyuk;Kim, Hwan;Hong, Kug-Sun;Kim, Deug-Joong;Lee, Jae-Hyup;Lee, Dong-Ho;Chang, Bong-Soon;Lee, Choon-Ki
    • Journal of the Korean Ceramic Society
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    • v.39 no.5
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    • pp.490-497
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    • 2002
  • Sintering property, mechanical property and bioactivity of $CaO-SiO_2-B_2O_3$ glass-ceramics were investigated. This glass-ceramics was sintered at 750-830${\circ}$ and showed nearly pore-free microstructure. The glass-ceramics consisted of three phases, i.e. monclinic-wollastonite, calcium borate and borosilicate glass matrix. The mechanical strength was higher than that of other bioactive ceramics, especially compressive strength(2813 MPa) and fracture toughness($3.12 MPa{\cdot}m^{1/2}$). Bioactivity of the glass-ceramics depends on amount of $CaB_2O_4$ and borosilicate glass matrix. It might be likely that more soluble $CaB_2O_4$ raises supersaturation of Ca ion in SBF solution and borosilicate glass forms Si-OH group that presents nucleation site of hydroxycarbonate apatite(HCA) layer. So, glassceramics of more $CaB_2O_4$ and borosilicate glass showed better bioactivity.

Crystal Structure of Bithional Sulfoxide, $C_{12}H_6Cl_4O_3S$ (비치오놀 설폭사이드, C12H6Cl4O3S의 결정구조)

  • Sin, Hyeon So;Song, Hyeon
    • Journal of the Korean Chemical Society
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    • v.38 no.4
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    • pp.283-287
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    • 1994
  • The crystal stucture of bithional surfoxide, $C_{12}H_6Cl_4O_3S$, has been determined from 2295 independent reflections collected on an automated CAD-4 diffractometer with a graphite-monochromated $Mo-K\alpha$ radiation. The crystal belongs to the monoclinic, space group P2$_1$/n, with a unit cell dimensions a = 12.448(4), b = 9.740(1), c = $11.815(2)\AA$, $\beta$ = $100.06^{\circ}$, $\mu$ = 9.02 cm$^{-1}$, Dm = 1.76 g/cm$^3$, Dc = 1.75 g/cm$^3$, F(000) = 744, and Z = 4. The structure was solved by the direct method and refined by the least-squares method. The final R values was 0.037 for 2295 independent reflections. Overall conformation of the molecule is folded with respect to central surfur atom. Comparing with the molecular conformation of bithional, one of phenyl rings was swinged with about $180^{\circ}.$ This conformational change in the molecule results in the existance of intramolecular-hydrogen bond of S-O(3)---H-O(1) type and its steric hindrance between this moiety and the other phenyl ring. The two best planes of the phenyl rings have a maximum deviation of 0.009 $\AA$ for C(1) atom. The dihedral angle between two phenyl rings is $99.22^{\circ}.$ In the crystal structure, the molecules are packed with intermolecular-hydrogen bond of O(3)---H-O(2).

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