• Title/Summary/Keyword: RINGS

Search Result 2,422, Processing Time 0.032 seconds

Novel Cationic 2-Phenylpyridine-based Iridium(III) Complexes Bearing an Ancillary Phosphine Ligand: Synthesis, Photophysics and Crystal Structure

  • Ma, Ai-Feng;Seo, Hoe-Joo;Jin, Sung-Ho;Yoon, Ung-Chan;Hyun, Myeong-Ho;Kang, Sung-Kwon;Kim, Young-Inn
    • Bulletin of the Korean Chemical Society
    • /
    • v.30 no.11
    • /
    • pp.2754-2758
    • /
    • 2009
  • Three novel phosphorescent 2-phenylpyridine-based iridium(III) complexes, $[(ppy)_2Ir(P\^{}N)]PF6\;(1),\;[(dfppy)_2Ir(P\^{}N)]PF_6$ (2), and $[(dfmppy)_2 Ir(P\^{}N)]PF6$ (3), where $P\^{}N$ = 2-[(diphenylphosphino)methyl]pyridine (dppmp), were synthesized and characterized. The absorption, photoluminescence, cyclic voltammetry and thermal stability of the complexes were investigated. The complexes showed bright blue luminescences at wavelengths of 448 $\sim$ 500 nm at room temperature in $CHCl_3$ and revealed that the $\pi$-acceptor ability of the phosphorous atom in the ancillary dppmp ligand plays an important role in tuning emission color resulting in a blue-shift emission. The single crystal structure of $[(dfmppy))_2Ir(P\^N)]PF_6$ was determined using X-ray crystallography. The iridium metal center adopts a distorted octahedral structure coordinated to two dfmppy and one dppmp ligand, showing cis C-C and trans N-N chelate dispositions. There is a $\pi-\pi$ overlap between π electrons delocalized in the difluorophenyl rings.

Hydrated Form of 4-N,N-Dimethylamino-4'-N'-Methyl-Stilbazolium Tosylate, $C_{16}H_{19}N_2(C_7H_7SO_3{\cdot}H_2O)$ (4-N,N-Dimethylamino-4'-N'- Mothy1-stilbazolium tosylate의 수화물)

  • Hong Hyung-Ki;Yoon Choon Sup;Suh Il-Hwan;Lee Jin-Ho;Choi Sung-San;Oh Mi-Ran;Marder Seth R.
    • Korean Journal of Crystallography
    • /
    • v.8 no.1
    • /
    • pp.1-5
    • /
    • 1997
  • The crystal structure of the title compound consists of discrete 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium, $C_{16}H_{19}N_2$, and tosylate, $C_7H_7SO_3$, dimer. The 4-N,N-dimethylamino-4'-N'-methyl-stilbazolium molecule has a trans conformation at the central C=C double bond: the dihedral angle between the phenyl and the pyridyl rings is $5.7(2)^{\circ}$ and the whole molecule is planar within $0.138(8){\AA}$. Tosylate molecules display hydrogen-bonded dimers with the O-H...O distances of 2.855(9) and $2.899(8){\AA}$, respectively. The shortest intermolecular contact is the distance $3.10(1){\AA}$ between O(3) and C(16).

  • PDF

The Crystal and Molecular Structure of P-toluenesulfonanilide, $C_{13}H_{13}NO_2S$ (P-toluenesulfonanilide, $C_{13}H_{13}NO_2S$의 결정 및 분자구조)

  • 박권일;조성일
    • Korean Journal of Crystallography
    • /
    • v.6 no.1
    • /
    • pp.43-48
    • /
    • 1995
  • The crystal structure of P-toluenesulfonanilide, C13H13NO2S is monoclinic, space group P21/c, a=8.777(1)Å, b=9.784(2)Å, c=15.139(2)Å, β=99.00(1)°, Z=4, V=1284.0(6)Å3, Dc=1.28g/cm33, λ(Mo-Kα)=0.71069Å, μ=2.3cm-1, F(000)=520, Temperature : 293±3K, R=0.038 for 711 Fo<3.0σ unique observed reflection. The structure was determuned by direct method and refined by full-matrix least squares refinement. Two benzene rings have the dihedral angle of 68.4°. Moleculs are accumulated according to the c axis with two fold screw and contacted by van der Walls force.

  • PDF

Preparation and Structure of $[Cu(L)]I_2\cdot2H_2O(L: 3,14-dimethyl-2,6,13,17-tetraazatricyclo [14,4,$0^{1.18},0^{7.12}$]docosane) ($[Cu(L)]I_2\cdot2H_2O(L: 3,14-dimethyl-2,6,13,17-tetraazatricyclo [14,4,$0^{1.18},0^{7.12}$docosane) 착물의 합성 및 구조)

  • Choe, Gi-Yeong;Kim, Dong-Un;Seo, Il-Hwan
    • Korean Journal of Crystallography
    • /
    • v.9 no.1
    • /
    • pp.1-5
    • /
    • 1998
  • The complex[Cu(L)I2, 2H2O(1) (L:3,14-Dimethyl-2,6,13,17-tetraazatricyclo [14,4,01.18, 07.12]docosane) has been prepared and structurally characterized. The complex (1) crystallizes in the triclinic system, space group P1, a=8.400(1)Å, b=8.986(3) Å, c=9.156(1) Å, α=82.42(1)˚, β=73.61(1)˚ λ=81.04(2)˚, Z=1, R for 1926 observed reflections of [F0>40(F0)], measured at 288K, was 0.042. The tetracoordination around Cu atom of complex(1) is square plane and the average bond distance of Cu-N is 2.029 (11) Å. Both six-membered chelate rings adopts a chair conformation and the five-membered ring are gauche with the sec-NH centers having the RRSS configuration.

  • PDF

Shape Generation and Optimization Technique of Space Frame Structures with Ellipse and Vault Complex Type (타원형 및 볼트복합형 스페이스 프레임 구조물의 형상 생성 및 최적화 방안)

  • Kim, Ho-Soo;Park, Young-Sin
    • Journal of Korean Association for Spatial Structures
    • /
    • v.10 no.4
    • /
    • pp.113-122
    • /
    • 2010
  • Space frame structures are included in the large spatial structures and can adopt various structure types. But, it is not easy to choose the optimal member size and shape because it depends on the structural engineer's experience and the repeated trial and error. Therefore, in this study, the final goal is to help the designer with the selection of the optimum shape. First, various space frame structures with ellipse dome and vault complex types are chosen and the shape generation method is considered to generate the nodes, coordinates and members. In optimal design process of space frame structure, each node coordinate changes according to height variation or the number of rings. Therefore, the auto generation technique of nodes and members is required in order to consider this phenomenon in optimal design process. Next, the shape generation module is created, base on the shape generation method. This module is connected with the analysis module and the optimization algorithm. Finally, the example model is presented for the evaluation of the efficiency of optimization algorithms.

  • PDF

Metal Complexes of Ambidentate Ligand (V). Nickel(II) Complexes of Bis(isonitrosobenzoylacetone)diimine Derivatives (Ambidentate 리간드의 금속착물 (제 5 보). Bis(isonitrosobenzoylacetone)diimine 유도체를 리간드로 하는 니켈(II)착물)

  • Jun Young-Sook;Baek Jae-Bum;Lee Man-Ho
    • Journal of the Korean Chemical Society
    • /
    • v.35 no.1
    • /
    • pp.46-50
    • /
    • 1991
  • Some nickel(II) complexes have been derived from the condensation of isonitrosobenzoylacetone and diamine(ethylenediamine and propylenediamine) in the presence of metal ion. It is suggested that an isonitroso group(=N-O) of the ligand coordinates to metal through nitrogen atom to form a five-membered ring while other =N-O coordinates to metal through oxygen atom to form a six-membered ring in Ni(IBN)$_2$-en ((IBA)$_2$-en = N,N'-propylenebis(isonitrosobenzoylacetone imino)). But both isonitroso groups of the ligand coordinate to metal through nitrogen atoms to form five-membered rings in Ni(IBA)$_2$-pn ((IBA)$_2$-pn = N,N'-propylenebis(isonitrosobenzoylacetone imino)).

  • PDF

Angiogenesis Inhibitor Derived from Angiostatin Active Sites

  • Park, Kyoung-Soo;Lim, Dong-Yeol;Park, Sang-Don;Kim, Min-Young;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
    • /
    • v.25 no.9
    • /
    • pp.1331-1335
    • /
    • 2004
  • Angiogenesis is essential for the growth and persistence of solid tumors. Their metastases, anti-angiogenesis could lead to the suppression of tumor growth. One of the main strategies of cancer treatment is developing molecules of anti-angiogenic activity. In this study, two angiogenic inhibitors, Ang3 (KLFDF) and Ang4 (XLFDF) derived from KLYDY, which is the sequence of angiostatin active sites kringle 5, were designed and synthesized. Previously we reported the activities and structures of two inhibitors, Ang1 (KLYDY) and Ang2 (KLWDF). In order to investigate the effect of Phe substitution, Ang3 was designed with a sequence of KLFDF. In order to reduce conformational flexibility of side chain in Lys, Ang4 was designed with a sequence of XLFDF, where X has amino substituted phenyl ring. Solution structures of those inhibitors were investigated using NMR spectroscopy and their activities as angiogenesis inhibitors were studied. Ang1 and Ang2 show angiogenic activities, while Ang3 and Ang4 have no activities and have extended structures compared to Ang1 and Ang2. Therefore, Phe rings do not have effective hydrophobic interactions with other aromatic residues in Ang3 and Ang4. The representative structure of Ang2 has a stable intramolecular hydrogen bond. Therefore, intramolecular hydrogen bonding might be more important in stabilizing the structure than the hydrophobic interactions in these inhibitors. More rigid structure, which can be expected to have higher activities and better match with the receptor bound conformations, can be obtained with a constrained cyclic structure. Further peptidomimetic approaches should be tried to develop angiogenesis inhibitors.

Wind pressure on a solar updraft tower in a simulated stationary thunderstorm downburst

  • Zhou, Xinping;Wang, Fang;Liu, Chi
    • Wind and Structures
    • /
    • v.15 no.4
    • /
    • pp.331-343
    • /
    • 2012
  • Thunderstorm downbursts are responsible for numerous structural failures around the world. The wind characteristics in thunderstorm downbursts containing vortex rings differ with those in 'traditional' boundary layer winds (BLW). This paper initially performs an unsteady-state simulation of the flow structure in a downburst (modelled as a impinging jet with its diameter being $D_{jet}$) using a computational fluid dynamics (CFD) method, and then analyses the pressure distribution on a solar updraft tower (SUT) in the downburst. The pressure field shows agreement with other previous studies. An additional pair of low-pressure region and high-pressure region is observed due to a second vortex ring, besides a foregoing pair caused by a primary vortex ring. The evolutions of pressure coefficients at five orientations of two representative heights of the SUT in the downburst with time are investigated. Results show that pressure distribution changes over a wide range when the vortices are close to the SUT. Furthermore, the fluctuations of external static pressure distribution for the SUT case 1 (i.e., radial distance from a location to jet center x=$D_{jet}$) with height are more intense due to the down striking of the vortex flow compared to those for the SUT case 2 (x=$2D_{jet}$). The static wind loads at heights z/H higher than 0.3 will be negligible when the vortex ring is far away from the SUT. The inverted wind load cases will occur when vortex is passing through the SUT except on the side faces. This can induce complex dynamic response of the SUT.

Widely Tunable Double-Ring-Resonator Add/Drop Filter (광대역 파장가변 이중 링 공진기 Add/Drop 필터)

  • Lee, Dong-Hyun;Lee, Tae-Hyung;Park, Joon-Oh;Kim, Su-Hyun;Chung, Young-Chul
    • Korean Journal of Optics and Photonics
    • /
    • v.18 no.3
    • /
    • pp.216-220
    • /
    • 2007
  • A widely tunable add/drop filter composed of double ring resonators is implemented with high-index-contrast polymer waveguide. To enhance the productivity, directional couplers are designed to have good fabrication tolerance. The refractive indices of the core and cladding in the 1550 nm wavelength are 1.51 and 1.378, respectively. Drop response in comparison with neighborhood peak gets enhanced by more than 2.9 dB at the wavelength where both rings resonate. This filter can be used to build widely tunable laser diode through hybrid-integration with reflective SOA.

Crystal and Molecular Structure of Methyl 12-(3-bromophenyl)-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-carboxylate

  • Kothandan, Gugan;Ganapathy, Jagadeesan;Damodharan, Kannan;Sanmargam, Aravindhan
    • Journal of Integrative Natural Science
    • /
    • v.7 no.2
    • /
    • pp.92-102
    • /
    • 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 C2/c with unit cell dimension a = 28.633(3) ${\AA}$, b= 9.3215(7) ${\AA}$ and c= 24.590(2) ${\AA}$ [alpha & gamma=$90^{\circ}$ beta= $115.976(3)^{\circ}$]. In the structure The S1 atom shows a distorted tetrahedral geometry, with O1-S1-O2 [119.74 $(2)^{\circ}$] and N1-S1-C5 [$105.57(1)^{\circ}$] angles deviating from ideal tetrahedral values are attributed to the Thrope-Ingold effect. The sum of bond angles around N1 ($316.2(1)^{\circ}$) indicates that N1 is in sp2 hybridization. The Pyridine ring adopts boat conformation and pyran rings adopt a sofa conformation. The carboxylate group of atoms were disordered over two positions with site occupancy factors 0.598 (9):0.402 (9). Crystal structure and packing is stabilized by $C-H{\ldots}O$ intra and inter molecular hydrogen bond interactions.