• 제목/요약/키워드: Dihedral angle

검색결과 59건 처리시간 0.022초

Synthesis, crystal structure, and analytical characterizations of amphiphilic palladium(II) compound containing bis(benzylthio)methylenepropanedioate

  • Tae Hwan Noh
    • 분석과학
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    • 제36권4호
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    • pp.198-203
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    • 2023
  • The reaction of cis-protected (Me4en)Pd(II) species with potentially multidentate bis(benzylthio)methylenepropanedioate (L) was carried out to obtain a monometallic compound, [(Me4en)Pd(L)], in O,O'-coordination mode. The bis(benzylthio)methylene group was bent strikingly from the palladium square plane at the dihedral angle of 70.40°. The physicochemical properties of the present palladium(II) compound were fully characterized by means of infrared and nuclear magnetic resonance spectroscopy, thermogravimetric analysis, and single-crystal X-ray diffraction measurement.

박막내 결정립 배열의 열적 불안정성1)-응집 모델 (Stability of the Grain Configurations of Thin Films-a Model for Agglomeration)

  • 나종주;박중근
    • 연구논문집
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    • 통권27호
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    • pp.183-200
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    • 1997
  • We have calculated the energy of three distinct grain configurations, namely completely connected, partially connected and unconnected configurations, evolving during a spheroidization of polycrystalline thin film by extending a geometrical model due to Miller et al. to the case of spheroidization at both the surface and film-substrate interface. "Stabilitl" diagram defining a stable region of each grain configuration has been established in terms of the ratio of grain size to film thickness vs. equilibrium wetting or dihedral angles at various interface energy conditions. The occurrence of spheroidization at the film-substrate interface significantly enlarges the stable region of unconnected grain configuration thereby greatly facilitating the occurrence of agglomeration. Complete separation of grain boundary is increasingly difficult with a reduction of equilibrium wetting angle. The condition for the occurrence of agglomeration differs depending on the equilibrium wetting or dihedral angles. The agglomeration occurs, at low equilibrium angles, via partially connected configuration containing stable holes centered at grain boundary vertices, whereas it occurs directly via completely connected configuration at large equilibrium angles except for the case having small surface and/or film-substrate interface energy. The initiation condition of agglomeration is defined by the equilibrium boundary condition between the partially connected and unconnected configurations for the former case, whereas it can, for the latter case, largely deviate from the equilibrium boundary condition between the completely connected and unconnected configurations because of the presence of a finite energy barrier to overcome to reach the unconnected grain configuration.

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The molecular structure of (+) -6-methoxy-.alpha. 1-2-naphtha-leneacetic acid determined by X-Ray method

  • Kim, Yang-Bae;Song, Hyun-June
    • Archives of Pharmacal Research
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    • 제7권2호
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    • pp.137-139
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    • 1984
  • The molecular structure of (+)-6-Me hoxy-.alpha.-methyl-2-naphthaleneacetic acid (Naproxen), $C_{14}H_{14}O_{ 3}$, was determined by X-Ray diffraction technique. Naproxen crystallized in $P2_1$ with two molecules on the unit cell of dimensions a = 7.855, b = 5.783, c = 13.347$\AA$ and $\beta$ = $93.9^{\circ}$

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INTERPRETATION OF POLARIZATION RESPONSES OF URBAN AREA

  • Kang Moon-Kyung;Yoon Wang-Jung;Kim Kwang-Eun;Choi Hyun-Seok
    • 대한원격탐사학회:학술대회논문집
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    • 대한원격탐사학회 2005년도 Proceedings of ISRS 2005
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    • pp.534-537
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    • 2005
  • Polarization of the radar wave refers to the ellipticity angle and orientation angle of the polarization ellipse. An evaluation of the polarization response can help understand the scattering mechanisms involved for a particular area of interest or provide information for image classification and algorithm section. C- and L-band polarization responses measured at urban area show the results that the polarization behavior for dihedral comer reflector or short, thin cylinder reflector appears at located in city streets or buildings site which are lined up and the polarization behavior for a large conducting sphere appears at parts of test site particularly river, flat, and vegetated areas. Also, the co- and cross-polarized response graphs and polarimetric parameters are discussed.

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Crystal Structure of Antiinflammatory Sulindac

  • 구정회;김상헌;신완철
    • Bulletin of the Korean Chemical Society
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    • 제6권4호
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    • pp.222-224
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    • 1985
  • The crystal structure of sulindac, $C_{20}H_{17}Fo_3S$, one of the nonsteroid antiinflammatory agents, has been determined by the X-ray diffraction techniques using diffractometer data obtained by the $\varpi-2{\theta}$ scan technique with Cu $$K_{\alpha}$$ radiation from a crystal with space group symmetry Pbca and unit cell parameters a = 8.166(1), b = 18.291(8), c = 23.245(10) ${\AA}.$ The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.11 for the 1153 observed reflections. The carboxyl group is nearly perpendicular to the indenyl ring as observed in indomethacin. The dihedral angle between the indenyl and phenyl rings is $35^{\circ}while$ the corresponding angle in indomethacin is $67^{\circ}.$ Crystal packing consists of a hydrogen bond and partial ring stacking between the indenyl rings.

The Structure of 1-[2-[[(4-chlorophenyl)-methyl]thio]-2-(2, 4-dichlorphenyl)ethyl]-1H imidazole (Sulconazole) nitrate, C18H16Cl3N3O3S

  • Shin, Hyun-So;Song, Hyun;Cho, Sung-Il;Pakr, Keun-Il
    • Bulletin of the Korean Chemical Society
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    • 제18권1호
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    • pp.14-18
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    • 1997
  • Sulconazole nitrate, C18H16Cl3N3O3S, crystallizes in monoclinic, space group C2/c, with a=14.401(1), b=8.051(1), c=34.861(2) Å, β=95.9(1)°, g=0.58 mm-1, Dc=1.523 g/cm3, Dm=1.522 g/cm3, F(000)=1888.0, and z=8. Intensities for 2460 unique reflections were measured on a CAD4 diffractometer with graphited-monochromated Mo-Kα radiation. The structure was solved by direct method and refined by full matrix least squares to a final R=0.071 for 2182 reflections (Io > 2σIo). The bond lengths and angles are comparable with the values found in the analogues imidazole derivatives. The 2,4-dichlorophenyl ring(A) and the p-chlorophenyl ring(B) are almost planar with different heights [dihedral angle 17.3°] while the imidazole ring(C) is nearly perpendicular to the two phenyl rings[dihedral angles about the two rings A, B are 110.8° and 96.1° respectively]. In order to understand the overall conformation we calculated the selected distances (l1, l2, l3) among the center of the three rings and considered the imaginary plan D[C(7), C(9) and C(16)]. The two polar group S(8) and N(19) do not have gauche conformation and l2 value (4.47 Å) is shorter than the other imidazole derivatives. One -NO3 group are hydrogen bonded the two neighbored sulconazole molecules. The molecular crystal packing is also formed by two hydrogen bondings and van der Waals forces.

인공위성 자세감지 모델과 그 S/W 개발 (SATELLITE ATTITUDE SENSING MODEL AND THEIR S/W DEVELOPMENT)

  • 김영신;안웅영;김천휘
    • Journal of Astronomy and Space Sciences
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    • 제16권1호
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    • pp.69-78
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    • 1999
  • 인공위성의 임무분석기술 중 하나로 인공위성의 센서가 실제의 궤도상에서 감지하는 것과 거의 같은 자료를 생성하는 자세감지(attitude sensing) S/W 시스템을 개발하였다. 이 S/W 시스템은 두 개의 모듈로 구성되어 있는데, 하나의 천체력 서비스 (ephemeris service) 모듈로 4개 행성(금성, 화성, 목성, 토성)의 섭동향을 고려하여 태양과 달의 위치를 구하고 4 $\times$4 지구중력 포텐셜항을 고려하여 위성의 위치를 계산하여 준다. 또 하나는 자세감지 모듈로 위성체의 자세요소($alpha,delta$)와 태양, 지구, 달의 위치로부터 위성의 자전축에 대한 각 천제들의 시선고도각(look angle)과 이면각(digedral angle)을 산출한다. 개발된 S/W 시스템으로 무궁화 위성의 자전축과 궤도요소를 변화시키면서 모의실험한 결과를 논의하였다.

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조류 중에 놓인 V-형 구조물 주위의 연직순환류에 대한 연구 (Vertical Convection Flow around V-Shaped Structures in Uniform Current)

  • 양찬규;홍기용
    • 대한조선학회논문집
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    • 제34권4호
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    • pp.148-157
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    • 1997
  • 본 논문에서는 유한체적법을 이용한 수치계산과 이차원수조에서의 유동가시화에 의한 실험적 연구를 통해 평행하게 흐르는 유체 내에 설치된 V-형 연직순환 구조물 주위의 유동현상을 해석하였다. V-형 연직순환 구조물은 성층화되어 연직방향으로 정체된 유동장을 교란하여 섞어주는 역할을 하는 해수유동 제어구조물로서 해상 구조물의 주변에 유동정체로 발생될 수 있는 부영양화 등을 감소시키는 도구로 사용될 수 있다. 판과 판의 사이각(dihedral angle; ${\theta}$), 판의 바닥면에 대한 경사각(inclination angle; ${\phi}$) 그리고 Reynolds 수에 대한 와류두(vortex head) 상승높이의 특성 및 유기속도(induced velocity)의 강도를 비교 검토함으로써 파라미터와 유동특성과의 관계를 살펴보았다. 또한 이를 통해서 연직순환 구조물의 최적형상은 사이각과 경사각이 $90^{\circ}$일 때라는 결론을 얻을 수 있었다.

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The crystal and molecular structure of chlorpropamide

  • Koo, Chung-Hoe;Cho, Sung-Il;Yeon, Young-Hee
    • Archives of Pharmacal Research
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    • 제3권1호
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    • pp.37-49
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    • 1980
  • Chlorpropamide, $C_{10}H_{13}N_{2}O_{3}SCI$, forms orthofombic crystals of space group $P_{2}_{ 1}2_{1}2_{1}$ with a 9.066 $\pm$ 0.004, b = 5.218 $\pm$ 0.003, c = 26, 604 $\pm$, 0.008 $\AA$, and four molecules per cell. Three dimensional photographic data were collected with Mo-K$\alpha$ radiation. The structure was determined using Patterson, Fourier and Difference syntheses methods and refined by the block-diagonal least-squares methods with anisotropic thermal parameters for all nonhydrogen atoms and isotropic thermal parameters for all hydrogen atomes. The final R value was 0.10 for the 1823 observed independent reflections. The dihedral angle between the planes through the benzene ring and the urea goup is 99$^{\circ}$. The conformational angle formed by the projection of the S-C(1) with that of N(1)-C(7) when the projection is taken along the S-N(1) bond is 76$^{\circ}$. The molecule appears to form with neighbouring molecules two hydrogen bonds, N(1)..H...O(3) and N(2)-H...0(2) of lengths 2.774 and 2.954$\AA$ respectively related by screw diads parallel to the a axis. Adjacent molecules parallel to b and c axis are bound together by van der Wasls forces.

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RGB 화상테이터를 이용한 CRT 표현색의 CIELab 표색계로의 변화에 관한 연구 (CRT Color Transform to CIELab Color System using RGB Image Data)

  • 안석출
    • 한국인쇄학회지
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    • 제13권1호
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    • pp.73-91
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    • 1995
  • Spectroscopic and Photoelectric Characteristics in the Cyanine and Merocyanine Dye according to systematically change of their structures were experimentally discussed. As result, in solution, Hetero atoms(X) of Cyanine and Merocyanine dye were participated in resonance X of d obital rather than X of pobital,effected in resonance and contributed in extension of conjugated system. in solid film,new spectra,called eximer-fluorenscence,were appeared in 3-dimensional fluorenscence of high density of Cyanine dye but not of Merocyanine. The activational energy of conductivity in Merocyanine dye was lower than in cyanine, an the contrary,the drift mobility was higher and the former in photoelectric characteristics was more effec-tive than the latter. In this paper,authors invertigated the changes of dye structure by molecular obital method to confirm the results of spectroscopic and photoelectric characteristics in the Cyanine and Merocyanine Dye acco-rding to systematically cally change of their structure, and counted total energy on dihedral angle and dipol miments if dyes in S0 and S1.

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