• Bulletin of the Korean Chemical Society
• /
• v.20 no.8
• /
• pp.948-952
• /
• 1999

Electrophilic substitutions on β-position of 2,5-dimethyl pyrrole have been investigated theoretically. The electron donating methyl groups enrich electron densities on C-3, C-4 positions and π* interactions with methyl groups substituted on C-2 and C-5 positions pushed up the HOMO level of the pyrroles consequently induce rapid substitutions on C-3, C-4 sites. Substitution of phenylsulfonyl group on nitrogen stabilized LUMO levels through weak π bonding interactions. Unexpected deoxidation reaction underwent on the sulfonyl group substituted at C-3 position. The structures were solved by X-ray crystallography. Meanwhile, gas phase HF/6-31G* and density functional method (B3LYP/6-31G*) calculations gave favorable energies for 1-phenylsulfinyl pyrrole (6) over 3-phenylsulfinyl pyrrole (5) by 3.6-4.7 kcal/mol which is contrary to the experimental result. However the methods involve the effects of molecular polarizability and solvent, molecular dynamics (MD) and ab-initio self consistent reaction field (SCRF) calculations showed same trend as experiments. According to MD calculations, compound 5 is more stable than compound 6 by 4.15 kcal/mol and the SCRF, HF/6-31G* calculations gave more stable energy value for structure 5 than 6 by 0.03 kcal/mol.

• Journal of Photoscience
• /
• v.9 no.2
• /
• pp.367-369
• /
• 2002

Chlorophyll (ChI) a' is the Cl3$^2$-epimer of ChI a which is the constituent of P700, the primary electron donor of Photosystem (PS) I, of a thrmophilic cyanobacterium, Synechococcus elongatus, whose structure was recently determined by X-ray crystallography. To determine whether PS I of diverse oxygenic photosynthetic organisms universally contain one molecule of ChI a ’, pigment compositions of thylakoid membranes and PS I complexes isolated from cyanobacteria, green algae, red algae and higher plants were determined by reversed-phase HPLC. The results show that involvement of one ChI a'molecule in PS I is the universal feature for Chi a-based PS I of oxygenic photosynthetic organisms.

• Bulletin of the Korean Chemical Society
• /
• v.32 no.spc8
• /
• pp.2906-2910
• /
• 2011

A fluorescent nucleoside analogue, $^AC$, featuring two non-complementary nucleobases linked through an ethynyl group, was synthesized. The extended ${\pi}$-conjugation imparts $^AC$ with red-shifted absorbance (relative to adenine and cytosine) and pale-blue fluorescence. It spontaneously forms nanoparticles, which exhibit considerably enhanced fluorescence, without the help of any additional stabilizing agent. The DMSO/water ratio was an important factor influencing the construction of the NPs. X-ray crystallography confirmed the structure of $^AC$; dynamic light scattering and scanning electron microscopy confirmed the existence of the nanoparticles.

• Korean Journal of Crystallography
• /
• v.12 no.2
• /
• pp.81-87
• /
• 2001

We have studied the effect of sintering temperature and time on the cation ordering and second phase formation in Ba(Mg/sub 1/3/Nb/sub 2/3/)O₃(BMN) microwave ceramics by using transmission electron microscopy. The relationship between the structural-chemical behavior arid microwave dielectric properties has also been investigated. It is revealed that according to the sintering conditions the BMN ceramics show very diverse local ordering behavior, such as the development of domain twinning and "core-shell"-structured grains and the formation of local disordered domains, though having 1 : 2 cation ordering structure basically. The disordered structure is found in Mg-excess region. Such local chemical variation seems to be caused by the formation of BaNb₂O/sub 6/-like second phase in its neigh-boring grain boundary. The microwave dielectric quality factor of the ceramics decreases greatly with the increase of the structural-chemical inhomogeneity and diversity.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2011.02a
• /
• pp.359-359
• /
• 2011

Many research applications in basic sciences and biology such as protein crystallography require hard x-rays in the range of 3-20 keV with high brightness. A medium energy storage ring as PLS-II with a beam energy of 3 GeV can meet such high photon energies. In-vacuum undulators (IVU) with a period length of 20 mm and a peak field of 0.97 T are used in the PLS-II ring to produce such X-rays in the fundamental or higher harmonics. Due to the many poles and high fields, insertion devices like wigglers and undulators have a significant impact on the stability of the electron beam with potential degradation of beam quality and life time. Therefore, nonlinear fields must be determined by measurement and evaluated as to their impact on beam stability. Specifically, transverse field roll-off can be a serious detriment to injection in top-up mode and must be corrected. We use magnetic field measurement data to evaluated beam stability by tracking particles using an explicit symplectic integrator in both, transverse and longitudinal planes.

• Bulletin of the Korean Chemical Society
• /
• v.31 no.6
• /
• pp.1515-1518
• /
• 2010

Regio- and diastereoselective 1,3-dipolar cycloaddition reactions of nitrones {(Z)-${\alpha}$-phenyl-N-methylnitrone (1a) and (Z)-${\alpha}$-propyl-N-butylnitrone (1b)} with electron-deficient perfluoro-2-methyl-2-pentene (2) lead to novel isoxazolidines {5-fluoro-5-pentafluoroethyl-4,4-bis-trifluoromethyl-2-methyl-3-phenyl-isoxazolidine (3a) and 2-butyl-5-fluoro-5-pentafluoroethyl-4,4-bis-trifluoromethyl-3-propyl-isoxazolidines (3b) respectively} as major constituents. These derivatives were characterized by IR, $^1H$ and $^{19}F$ NMR, GC-MS and NOE measurements, and the absolute structure of 3a was confirmed by X-ray crystallography.

• Korean Journal of Crystallography
• /
• v.9 no.2
• /
• pp.131-137
• /
• 1998

결정결함의 밀도가 낮은 GaN epitaxy 막을 MOCVD(metal organic chemical vapour deposition) 방법에 의해 성장시켰다. 기판은 6H-SiC를 사용하였으며, AlN과 GaN으로 구성된 이중 buffer 층을 도입하였다. GaN buffer 층은 반응원료인 trimethyl gallium(TMG)과 NH3 가스를 교호식펄스공급(alternating pulsative supply, APS)방법에 의해 만들었다. AlN buffer/6H-SiC 위에 초기단계에 형성되는 GaN 섬은 APS처리에 의해 크기가 커지는 것을 AFM(atomic force microscope)으로 관찰하였다. Buffer 층의 역할은 그 위에 성막시킨 GaN epitaxy 막의 결정성과 결함밀도에 의해 조사하였다. 성막된 GaN의 결정구조와 결정성은 DCXRD(double crystal X-ray diffractormeter)에 의해 측정되었다. 결정결함은 EPD(etching pit density)를 측정하는 방법으로 알칼리혼합용에서 처리된 막을 SEM(scanning electron microscope)으로 관찰하였다.

• Korean Journal of Crystallography
• /
• v.7 no.2
• /
• pp.156-164
• /
• 1996

The atomic configurations of GaAs ∑19, {331}/{331} [110] and ∑3 {111}/{111} [110] tilt grain boundaries were investigated by HRTEM (High-resolution Transmission Electron Microscopy). The boundary planes lie parallel to the crystallographic planes with high number density of coincident lattice sites for given misorientations, exhibiting particular atomic structural units. Secondary boundary dislocations with a core diameter of about 2nm were observed at boundary steps when a slight deviation from exact ∑-related misorientations occurs in the bicrystal system. The relation between the secondary boundary dislocation and the boundary step was discussed based on a DSC lattice model.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2014.02a
• /
• pp.109-110
• /
• 2014

주사전자현미경(Scanning Electron Microscopy: SEM)은 고체상태에서 미세조직과 형상을 관찰하는 데에 가장 다양하게 쓰이는 분석기기로서 최근에 판매되고 있는 고분해능 SEM은 수 나노미터의 분해능을 가지고 있다. 그리고 SEM의 초점심도가 크기 때문에 3차원적인 영상의 관찰이 용이해서 곡면 혹은 울퉁불퉁한 표면의 영상을 육안으로 관찰하는 것처럼 보여준다. 활용도도 매우 다양해서 금속파면, 광물과 화석, 반도체 소자와 회로망의 품질검사, 고분자 및 유기물, 생체시료 nnnnnnnnn와 유가공 제품 등 모든 산업영역에 걸쳐 있다(Fig. 1). 입사된 전자빔이 시료의 원자와 탄성, 비탄성 충돌을 할 때 2차 전자(secondary electron)외에 후방산란전자(back scattered electron), X선, 음극형광 등이 발생하게 되는 이것을 통하여 topography (시료의 표면 형상), morphology(시료의 구성입자의 형상), composition(시료의 구성원소), crystallography (시료의 원자배열상태)등의 정보를 얻을 수 있다. SEM은 2차 전자를 이용하여 시료의 표면형상을 측정하고 그 외에는 SEM을 플랫폼으로 하여 EDS (Energy Dispersive X-ray Spectroscopy), WDS (Wave Dispersive X-ray Spectroscope), EPMA (Electron Probe X-ray Micro Analyzer), FIB (Focus Ion Beam), EBIC (Electron Beam Induced Current), EBSD (Electron Backscatter Diffraction), PBMS (Particle Beam Mass Spectrometer) 등의 많은 분석장치들이 SEM에 부가적으로 장착되어 다양한 시료의 측정이 이루어진다. 이 중 결정구조, 조성분석을 쉽고 효과적으로 할 수 있게 하는 X선 분석장치인 EDS를 SEM에 일체화시킨 장비와 EDS 및 PBMS를 SEM에 장착하여 반도체 공정 중 발생하는 나노입자의 형상, 성분, 크기분포를 측정하는 PCDS(Particle Characteristic Diagnosis System)에 대해 소개하고자 한다. - EDS와 통합된 SEM 시스템 기본적으로 SEM과 EDS는 상호보완적인 기능을 통하여 매우 밀접하게 사용되고 있으나 제조사와 기술적 근간의 차이로 인해 전혀 다른 방식으로 운영되고 있다. 일반적으로 SEM과 EDS는 별개의 시스템으로 스캔회로와 이미지 프로세싱 회로가 개별적으로 구현되어 있지만 로렌츠힘에 의해 발생하는 전자빔의 왜곡을 보정을 위해 EDS 시스템은 SEM 시스템과 연동되어 운영될 수 밖에 없다. 따라서, 각각의 시스템에서는 필요하지만 전체 시스템에서 보면 중복된 기능을 가지는 전자회로들이 존재하게 되고 이로 인해 SEM과 EDS에서 보는 시료의 이미지의 차이로 인한 측정오차가 발생한다(Fig. 2). EDS와 통합된 SEM 시스템은 중복된 기능인 스캔을 담당하는 scanning generation circuit과 이미지 프로세싱을 담당하는 FPGA circuit 및 응용프로그램을 SEM의 회로와 프로그램을 사용하게 함으로 SEM과 EDS가 보는 시료의 이미지가 정확히 일치함으로 이미지 캘리브레이션이 필요없고 측정오차가 제거된 EDS 측정이 가능하다. - PCDS 공정 중 발생하는 입자는 반도체 생산 수율에 가장 큰 영향을 끼치는 원인으로 파악되고 있으며, 생산수율을 저하시키는 원인 중 70% 가량이 이와 관련된 것으로 알려져 있다. 현재 반도체 공정 중이나 반도체 공정 장비에서 발생하는 입자는 제어가 되고 있지 않은 실정이며 대부분의 반도체 공정은 저압환경에서 이루어지기에 이 때 발생하는 입자를 제어하기 위해서는 저압환경에서 측정할 수 있는 측정시스템이 필요하다. 최근 국내에서는 CVD (Chemical Vapor Deposition) 시스템 내 파이프내벽에서의 오염입자 침착은 심각한 문제점으로 인식되고 있다(Fig. 3). PCDS (Particle Characteristic Diagnosis System)는 오염입자의 형상을 측정할 수 있는 SEM, 오염입자의 성분을 측정할 수 있는 EDS, 저압환경에서 기체에 포함된 입자를 빔 형태로 집속, 가속, 포화상태에 이르게 대전시켜 오염입자의 크기분포를 측정할 수 있는 PBMS가 일체화 되어 반도체 공정 중 발생하는 나노입자 대해 실시간으로 대처와 조치가 가능하게 한다.

• Korean Journal of Crystallography
• /
• v.16 no.2
• /
• pp.75-80
• /
• 2005

[ $LiK_{1-x}Rb_{x}SO_{4}(x=0.1,\;0.2)$ ] crystals were grown by means of aqueous solution growth technique at 313 K. Structure analysis of them was carried out with space group $P6_{3}(#173)$ by X-ray diffraction. In these compounds, the Li and $SO_{4}^{2-}$ ions lying on the three-fold axes formed infinite three-dimensional network and K and Rb atoms located on the six-fold axes are coordinated by twelve and fifteen O atoms respectively. The most suitable stabilization was achieved when the occupancy factors of K and Rb atoms are (0.91 : 0.09), (0.77 : 0.23) respectively.