• Bulletin of the Korean Chemical Society
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• 제27권7호
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• pp.1048-1052
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• 2006

Ab initio calculations of the structure, atomic charges and natural bond orbital (NBO) have been performed at HF/6-311G** and B3LYP/6-311G** levels for the title compound of dibenzothiazyl-disulfide. The calculated results show that the two nitrogen atoms have the biggest negative charges and they are the potential sites to react with the metallic ions, which make the title compound become a di-dentate ligand. Vibrational frequencies of the title compound have been obtained and compared with the experimental value and the comparison indicates that B3LYP/6-311G** level is better than HF/6-311G** level to predict the vibrational frequencies for the system studied here. For the title compound, electronic absorption spectra calculated by time?ependent density functional theory (TD-DFT) are more accurate than Hartree-Focksingle-excitation CI (CI-Singles) method. NBO analyses show that the electronic transitions are mainly derived from the contribution of bands $\pi\rightarrow\pi^{*}$. Thermodynamic calculated results show that the formation of the title compound from 2-mercaptobenzothiazole is a spontaneous process at room temperature with the change of free Gibbs being negative value.

• Bulletin of the Korean Chemical Society
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• 제34권12호
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• pp.3727-3732
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• 2013

The interaction between metalloporphyrins and diazine tautomers was investigated using quantum chemistry method. The results showed that the metal atom in the metalloporphyrin was not coplanar with porphin ring, and zinc porphyrin has the most extent of its non-coplanar nature. The most stable complex in nine complexes was iron porphyrin. NBO analysis indicated that the interaction between the lone pair of electrons on the nitrogen atom and the unoccupied lone pair orbital of metal contributes significantly to the stability of the complexes. Through the conceptual DFT parameter and Fukui dual descriptor, the thermodynamic stability and reactivity of complexes were analyzed. The density difference function (DDF) analyzes were performed to explore the rearrangement of electronic density after the coordination interaction. NICS calculation indicated that metalloporphyrin aromaticity was reduced after the coordination interaction, and aromaticity of diazine tautomer was increased along direction vector of the coordination interaction force.

• 공업화학
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• 제23권3호
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• pp.289-292
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• 2012

용액공정이 가능한 저분자 유기반도체, triethylsilylethynyl anthradithiophene (TES ADT)을 기반으로 한 유기박막 트랜지스터에서 금 전극의 일함수를 제어하기 위해 표면을 자기조립 단분자막(self-assembled monolayers, SAMs)으로 개질하였다. Benzothiol (BT)과 pentafluorobenzothiol (PFBT) 자기조립 단분자막을 이용해 금 전극의 일함수를 조절하고 이를 통해 TES ADT의 HOMO 준위에 대한 정공주입장벽을 최소화 하고자 하였다. 또한, solvent annealing 후처리 공정을 통해 TES ADT 박막의 결정성을 향상시켰고, 이를 PFBT로 개질된 금 전극을 기반으로 한 유기박막 트랜지스터에 적용한 경우 $0.05\;cm^2/Vs$의 높은 전계효과 이동도와 $10^6$의 높은 점멸비를 보고하였다.

• Journal of Electrical Engineering and Technology
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• 제6권5호
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• pp.697-705
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• 2011

In this paper, a closed-loop system constructed with a linear plant and nonlinearity in the feedback connection is considered to argue against its planar orbital stability. Through a state space approach, a main result that presents a sufficient stability criterion of the limit cycle predicted by solving the harmonic balance equation is given. Preliminarily, the harmonic balance of the nonlinear feedback loop is assumed to have a solution that determines the characteristics of the limit cycle. Using a state-space approach, the nonlinear loop equation is reformulated into a linear perturbed model through the introduction of a residual operator. By considering a series of transformations, such as a modified eigenstructure decomposition, periodic averaging, change of variables, and coordinate transformation, the stability of the limit cycle can be simply tested via a scalar function and matrix. Finally, the stability criterion is addressed by constructing a composite Lyapunov function of the transformed system.

• 대한원격탐사학회지
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• 제34권3호
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• pp.565-578
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• 2018

본 연구에서는 번들조정 과정에서 요구되는 GCP의 수를 줄이기 위해 동일궤도 상의 개별 영상 대신 스트립을 스트립을 모델링 할 수 있는 가능성을 조사한다. 이를 위해 먼저 동일 궤도상에 존재하는 각 개별영상의 RFM(Rational function model)으로부터 스트립에 대한 RFM을 생성하였다. 다음으로, 생성된 스트립 이미지 간의 번들 조정을 통해 모델 보정계수를 산출하였다. 실험을 위해 각 3개의 Scene 영상으로 구성된 KOMPSAT-3A 스테레오 스트립을 사용하였다. 실험을 통해 스트립의 특정지역에 위치한 기준점만을 사용하여 초기모델 개선이 가능함을 확인하였다. 또한 12개의 지상기준점을 사용한 스트립 번들조정 수행 결과 수평 수직 방향으로 약 2 m의 3차원 위치 결정이 가능함을 확인하였다. 이를 통해 단일 영상 기반 번들조정보다 스트립 번들조정이 더 효율적일 수 있음을 확인하였다.

• 전기전자학회논문지
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• 제24권3호
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• pp.706-712
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• 2020

유기전기발광소자(Organic light diodes, OLEDs)의 전기발광특성을 향상시키기 위해, 본 논문에서는 용액 공정 정공주입층으로 신규 hexaazatrinaphthylene(HATNA) 유도체들을 도입한 고효율 녹색인광 OLED소자의 특성을 연구하였다. HATNA 유도체는 Indium Tin Oxide(ITO)의 일함수와 비슷한 낮은 the lowest unoccupied molecular orbital(LUMO) 에너지 준위를 가져 다른 개념의 정공주입 메커니즘을 보여주었다. HATNA 유도체를 hole injection layer(HIL)로 사용한 OLED소자들은 HTL로의 정공주입장벽을 효과적으로 감소시키고 발광층 내에 전자와 정공의 균형을 최적화 시켜 외부양자효율이 10.8%에서 15.6%로, 전류 효율은 34.3 cd/A에서 42.7 cd/A로 소자 효율이 크게 향상 되었다.

• Bulletin of the Korean Chemical Society
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• 제27권12호
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• pp.2002-2010
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• 2006

This study examined the quenching of ofloxacin (OFL) and flumequine (FLU) fluorescence by $Cuj^{2+}$, $Ni^{2+}$, $Co^{2+}$ and $Mn^{2+}$ in an aqueous solution. The change in the fluorescence intensity and lifetime was measured at various temperatures as a function of the quencher concentration. According to the Stern-Volmer plots, the fluorescence emission was quenched by both collisions (dynamic quenching) and complex formation (static quenching) with the same quencher but the effect of static quenching was larger than that of dynamic quenching. Large static and dynamic quenching constants for both OFL and FLU support significant ion-dipole and orbital-orbital interactions between fluorophore and quencher. For both molecules, the static and dynamic quenching constants by $Cu^{2+}$ were the largest among all the metal quenchers examined in this study. In addition, both the static and dynamic quenching mechanisms by $Cu^{2+}$ were somewhat different from the quenching caused by other metals. Between $Ni^{2+}$ and FLU, a different form of chemical interaction was observed compared with the interaction by other metals. The change in the absorption spectra as a result of the addition of a quencher provided information on static quenching. With all these metals, the static quenching constant of FLU was larger than those of OFL. The fluorescence of OFL was quite insensitive to both the dynamic and static quenching compared with FLU. This property of OFL can be explained by the twisted intramolecular charge transfer in the excited state.

• 대한원격탐사학회:학술대회논문집
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• 대한원격탐사학회 2002년도 Proceedings of International Symposium on Remote Sensing
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• pp.751-756
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• 2002

Since the operation of the first satellite-based navigation services, satellite positioning has played an increasing role in both surveying and navigation, and has become an indispensable tool for precise relative positioning. However, in some situations, e.g. at a low angle of elevation, the use of satellites for navigation is seriously restricted because obstacles like buildings and mountains can block signals. As a mean to resolve this problem, the quasi-zenith satellite system has been proposed as a next-generation satellite navigation system. Quasi-zenith satellite is a system which simultaneously deploys several satellites in a quasi-zenith geostationary orbit so that one of the satellites always stay close to the zenith if viewed from a specific point on the ground of East Asia. Thus, if a position measurement function compatible with GPS is installed in the quasi-zenith and stationary satellites, and these satellites are utilized together with the GPS, four satellites can be accessed simultaneously nearly all day long and a substantial improvement in position measurement, especially in metropolitan areas, can be achieved. The purpose of this paper is to evaluate the effectiveness of quasi-zenith satellite system on positioning accuracy improvement through simulation by using precise orbital information of the satellites and a three-Dimensional digital map. Through this simulation system, it is possible to calculate the number of simultaneously visible satellites and available area of the positioning without the need of actual observation.

• 한국고분자학회:학술대회논문집
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• 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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• pp.238-238
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• 2006

Through ultra-violet photoemission spectroscopy in-situ experiment, 0.67 eV energy barrier between 1-hexadecanethiol (HDT)-modified gold and pentacene was observed, which was 0.03 eV smaller than the energy barrier between bare gold and pentacene despite HDT modified gold had 0.8 eV lower work function than that of bare gold. This result is opposed to the idea that increasing the work function a metal decreases the energy barrier. This can be explained by two factors. One is the absence of interface dipole, which is observed in pentacene deposited on gold. The other is reduced ionization energy which can be explained through polarization energy or electronic splitting of molecular orbital with more crystalline structure observed through X-ray diffraction patterns.

• Journal of International Society for Simulation Surgery
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• 제1권1호
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• pp.32-36
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• 2014

Reconstruction of the maxilla is quite a difficult challenge for reconstructive surgeons. The maxilla is the most important part of the midface, which contributes to facial esthetics, mastication, swallowing, speech, supporting orbital contents and sinus function. Free fibular flap is most versatile to reconstruct jaw bone because of its adequate length, containing both soft and bony tissues and acceptance of dental implants. In this case report, a reconstruction of the maxilla using free fibular flap and dental implants is described in which rapid prototype was used before surgery to simulate the final prosthetic results.