• Title/Summary/Keyword: Square-planar

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Synthesis and Structure of [Cu(L)](ClO4)2 (L;3,5,10,12-Tetramethyl-1,4,8,11-tetraazacyclotetradecane) ([Cu(L)](ClO4)2 (L:3,5,10-12-Tetramethyl-1,4,8,11-tetraazacyclotetradecane) 착물의 합성 및 구조)

  • 최기영;홍청표
    • Korean Journal of Crystallography
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    • v.9 no.1
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    • pp.6-10
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    • 1998
  • The complex[Cu(L)](ClO4)2 (1) (L:3,5,10,12-Tetramethyl-1,4,8,11-tetraazacyclotetradecane) has been synthesized and structurally characterized. The complex 1 crystallizes in the monoclinic system, space group P21/n with cell parameters a=8.208(2)Å, b=13.339(6) Å, c=10.752(5) Å, β=111.02(4)˚ Z=2. Least-squares refinement of 1 led to a R(RW)factor of 0.073 (0.142) for 617 observed reflections of F0>40(F0). The crystal structure of 1 has a square-planar geometry and adopts the trans-III conformation.

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Crystal Structure of Macrocyclic Tetraamine Thiocyanate Copper(II) Complex (거대고리 Tetraamine Thiocyanate Copper(II) 착물의 결정구조)

  • Choe, Gi-Yeong;Kim, Chang-Seok;Seo, Il-Hwan
    • Korean Journal of Crystallography
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    • v.9 no.1
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    • pp.11-14
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    • 1998
  • The synthesis and characterization of [Cu(L)](NCS)2 (1) (L:2,5,9,12-Tetramethyl-1,4,8,11-tetraazacyclotetradecane) are described. Crystal structure of 1 crystallizes in the monoclinic system, space group P21/a, a=7.622(2)Å, b=17.645(2) Å, c=8.223(3) Å, β=109.99(2)˚ Z=2. Least-squares refinement of 1 led to a R(Rw) factor of 0.087 (0.158) for 1535 observed reflections of F0>40(F0). The complex 1 has a square planar geometry with average Cu-N (secondary amines) bond distance of 2.030(4)Å. The axially disposed thiocyanate anions are not coordinated with Cu-N distances of 2.842(7) Å.

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Geometrical Characteristics and Atomic Charge Variations of Pd(II) Complexes [Pd(L)Cl2] with an Axial (Pd·O) Interaction

  • Park, Jong-Keun;Cho, Yong-Guk;Lee, Shim-Sung;Kim, Bong-Gon
    • Bulletin of the Korean Chemical Society
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    • v.25 no.1
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    • pp.85-89
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    • 2004
  • Geometrical structures of [Pd(L)$Cl_2$] with oxathia macrocycles have been calculated using ab initio secondorder Moller-Plesset (MP2) and Density Functional Theory (DFT) methods with triple zeta plus polarization (TZP) basis set level. In optimized Pd(L)$Cl_2$ complexes, Pd(II) locates at the center surrounded by a square planar array of two sulfurs on an oxathia macrocycle and two chlorides. The endo-Pd(II) complexes with an axial (Pd${\cdots}$O) interaction are more stable than the exo-Pd(II) complexes without the interaction. In the endo-Pd(II) complexes, the atomic charge of the oxygen atom moves to Pd(II) via the axial ($Pd{\cdots}$O) interaction and then, the charge transfer from Pd(II) to the S-atoms occurs stepwise via ${\pi}$-acceptors of the empty d-orbitals.

Antifungal Activities of Copper(II) with Biosensitive Macrocyclic Schiff Base Ligands Derived from 4-Aminoantipyrine Derivatives

  • Gopalakrishnan, S.;Joseph, J.
    • Mycobiology
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    • v.37 no.2
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    • pp.141-146
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    • 2009
  • Novel copper(II) complexes have been synthesized from the macrocyclic Schiff bases derived from Knoevenagel condensed ${\beta}$-ketoanilides (obtained by the condensation of acetoacetanilide and substituted benzaldehydes), 4-aminoantipyrine and ophenylene diamine. The structural features have been determined from their analytical and spectral data. All the Cu(II) complexes exhibit square planar geometry. Their high molar conductance values support their 1 : 2 electrolytic nature. The magnetic moment data provide evidence for the monomeric nature of the complexes. The X-band ESR spectra of the |$CuL^1$|$(OAc)_2$ in DMSO solution at 300 and 77 K were recorded and their salient features are reported. The in vitro biological screening effects of the investigated compounds were tested against the bacterial species Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Proteus vulgaris and Pseudomonas aeruginosa and fungal species Aspergillus niger, Rhizopus stolonifer, Aspergillus flavus, Rhizoctonia bataicola and Candida albicans by well diffusion method. A comparative study of inhibition values of the Schiff bases and their complexes indicate that complexes exhibit higher antimicrobial activity than the Schiff bases. Copper ions proved to be essential for the growth-inhibitor effect. The extent of inhibition appeared to be strongly dependent on the initial cell density and on the growth medium.

Design of a 170 GHz Notch Filter for the KSTAR ECE Imaging Sensor Application

  • Mohyuddin, Wahab;Woo, Dong Sik;Kim, Sung Kyun;Kim, Kang Wook;Choi, Hyun-Chul
    • Journal of Sensor Science and Technology
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    • v.25 no.1
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    • pp.8-12
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    • 2016
  • A planar, light-weight, and low-cost notch filter structure is required for the KSTAR ECEI (Electron Cyclotron Emission Imaging) system to protect the mixer arrays from spurious plasma heating power. Without protection, this heating power can significantly degrade or damage the performance of the mixer array. To protect mixer arrays, a frequency selective surface (FSS) structure is the suitable choice as a notch filter to reject the spurious heating power. The FSS notch filter should be located between the lenses of the ECEI system. This paper presents a 170 GHz FSS notch filter for the KSTAR ECEI sensor application. The design of such an FSS notch filter is based on the single-sided square loop geometry, because that makes it relatively insensitive to the incident angle of incoming wave. The FSS notch filter exhibits high notch rejection with low pass-band insertion loss over a wide range of incident angles. This paper also reviews the simulated and measured results. The proposed FSS notch filter might be implemented in other millimeter-wave plasma devices.

Synthesis, Structure, and Antitumor Activity of Novel Platinum(II) Complexes Involving Asymmetric Chiral Diamines as Carrier Ligands

  • 이은주;전무진;손윤수
    • Bulletin of the Korean Chemical Society
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    • v.20 no.12
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    • pp.1469-1474
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    • 1999
  • New platinum(II) complexes with asymmetrically substituted chiral diamine ligands A₂PtX₂, (A₂ = NH₂CH(CH₃)CH₂NH($c-C_5H_9)$ (apcpa), NH₂CH(CH₃)CH₂NH($c-C_6H_11)$ (apcha); X₂ = 2Cl, isopropylidenmalonate (IPM), 1,1'-cyclobutandicarboxylate (CBDCA)) have been synthesized and characterized by means of elemental analyses, infrared and NMR spectroscopies, and X-ray crystallography. The crystal structures of (S-apcha)Pt[CBDCA] ·3H₂O (orthorhombic, P2₁2₁2(No. 18), a = 6.926(3), b = 15.243(3), c = 19.319(4)Å, V = 2039.5(10) ų, Z = 4, R = 0.072) and (S-apcha)Pt[IPM] ·2.5 H₂O (monoclinic, P2/C(No. 13), a = 9.882(1), b =18.502(1), c = 22.056(1)Å, V = 4032.8(5)ų, Z = 8, R=0.093) exhibit that the platinum atoms achieve a typical square planar arrangement with two nitrogen atoms in cis position and with the chiral center retained. The spectroscopic data disclose that these platinum complexes are stable and their molecular structures are retained in aqueous solution. Among these platinum complexes, the asymmetric diamine-Pt(II) complexes with chloride leaving group exhibit high in vivo activity comparable to cisplatin against leukemia L1210 cell line.

The Crystal Structure of Bis(N-Methylphenazinium) Bis(Oxalato)Palladate(Ⅱ) (Bis(N-Methylphenazinium) Bis(Oxalato)Palladate(Ⅱ)의 결정구조)

  • Kim, Se Hwan;NamGung, Hae;Lee, Hyeon Mi
    • Journal of the Korean Chemical Society
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    • v.38 no.11
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    • pp.827-832
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    • 1994
  • The crystal structure of bis(N-methylphenazinium) bis(oxalato)palladate(II) has been determined by X-ray crystallography. Crystal data: ((C_{13}H_{11}N_2)_2[Pd(C_2O_4)_2]) $M_w$ = 672.93, Triclinic, Space Group P1 (No = 2), a = 7.616(8), b = 9.842(3), c = $20.335(7)\AA$, $\alpha$ = 103.53(3), $\beta$ = 90.00(5), $\gamma$ = $112.38(5)^{\circ}$, Z = 2, $V = 1363(2){\AA}^3\;D_c = 1.639\;gcm^{-3},\;{\mu} = 7.3\;cm^{-1},\;F(000) = 680.0$. The intensity data were collected with $Mo-K\alpha$ radiation (${\lambda}$= 0.7107\;\AA)$ on an automatic four-circle diffractometer with a graphite monochromater. The structure was solved by Patterson method and refined by full matrix least-square methods using Killean & Lawrence weights. The final R and S values were $R = 0.069,\;R_w = 0.050,\;R_{all} = 0.069$ and S = 5.45 for 3120 observed reflections. Both cation and anion complexes are essentially planar and have dihedral angles of 6.3(6) and $57.06(6)^{\circ}$ between their planes. The planar complex anions are sandwiched between slightly bent cations. The interplanar separations of two triads are 3.328 and 3.463 $\AA$, respectively. The triads are stacked along b-axis, but their orientations are different based on dihedral angle $59.08(9)^{\circ}$ of two complex anions.

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Analysis of Three Dimensional Positioning Accuracy of Vectorization Using UAV-Photogrammetry (무인항공사진측량을 이용한 벡터화의 3차원 위치정확도 분석)

  • Lee, Jae One;Kim, Doo Pyo
    • Journal of the Korean Society of Surveying, Geodesy, Photogrammetry and Cartography
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    • v.37 no.6
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    • pp.525-533
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    • 2019
  • There are two feature collection methods in digital mapping using the UAV (Unmanned Aerial Vehicle) Photogrammetry: vectorization and stereo plotting. In vectorization, planar information is extracted from orthomosaics and elevation value obtained from a DSM (Digital Surface Model) or a DEM (Digital Elevation Model). However, the exact determination of the positional accuracy of 3D features such as ground facilities and buildings is very ambiguous, because the accuracy of vectorizing results has been mainly analyzed using only check points placed on the ground. Thus, this study aims to review the possibility of 3D spatial information acquisition and digital map production of vectorization by analyzing the corner point coordinates of different layers as well as check points. To this end, images were taken by a Phantom 4 (DJI) with 3.6 cm of GSD (Ground Sample Distance) at altitude of 90 m. The outcomes indicate that the horizontal RMSE (Root Mean Square Error) of vectorization method is 0.045 cm, which was calculated from residuals at check point compared with those of the field survey results. It is therefore possible to produce a digital topographic (plane) map of 1:1,000 scale using ortho images. On the other hand, the three-dimensional accuracy of vectorization was 0.068~0.162 m in horizontal and 0.090~1.840 m in vertical RMSE. It is thus difficult to obtain 3D spatial information and 1:1,000 digital map production by using vectorization due to a large error in elevation.

Retention Time Prediction form Molecular Structure of Sulfur Compounds by Gas Chromatography (기체크로마토그래피에서 황화합물의 구조를 통한 용리시간 예측)

  • Kim, Young Gu;Kim, Won Ho;Pak, Hyung Suk
    • Journal of the Korean Chemical Society
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    • v.42 no.6
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    • pp.646-651
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    • 1998
  • The molecular structure of sulfur compounds and the retention relationship are studied by gas chromatography. Analyzed sulfur compounds are, hydrogen sulfide, sulfur dioxide, carbon disulfide, ethyl mercaptan, dimethyl sulfide, iso-propyl mercaptan, normal propyl mercaptan, ethyl methyl sulfide, tert-butyl mercaptan, tetrahydrothiophene, thiophene, and 2-chlorothiophene. Multiple linear regression explains the retention relationship of molecular descriptors. In GC the temperature program is 30$^{\circ}C$ held for 10.5 min, and then increased to 150$^{\circ}C$ at a rate 15$^{\circ}C$/min. Predicted equation for relative retention time (RRT) using SAS program is as follows; $RRT=0.121bp+14.39dp-8.94dp^2+0.0741sqmw-35.78\; (N=8,\; R^2=0.989, \;Variance=0.175,\;F=66.21)$. RRTs are function of boiling point, the square root of molecular weight, molecular dipole moment, and boiling point effects mostly on RRT. The RRT is maximized at the molecular dipole moment of 0.805D, when using nonpolar columns. The planar and highly symmetric compounds are eluted slowly. The square, of correlation coefficient $(R^2)$ using SAS program, is 0.989, and the variance is 0.175 in training sets. For three sulfur compounds, the variance between observed RRTs and predicted RRTs is 0.432 in testing sets.

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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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