• Bulletin of the Korean Chemical Society
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• v.35 no.2
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• pp.587-596
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• 2014

A new ${\pi}$-stacked donor-acceptor (D-A) system, [Ru(1-([2,2'-bipyridine]-6-yl-methyl)-3-(2-cyclohexa-2',5'-diene-1,4-dionyl)-1H-imidazole)(2,2':6',2"-terpyridine)]$[PF_6]_2$ (ImQ_T), has been synthesized and characterized. Similar to its precedent, [Ru(6-(2-cyclohexa-2',5'-diene-1,4-dione)-2,2':6',2"-terpyridine)(2,2':6',2"-terpyridine)]$[PF_6]_2$ (TQ_T), this system has a cofacial alignment of terpyridine (tpy) ligand and quinonyl (Q) group, which facilitates an electron transfer through ${\pi}$-stacked manifold. Despite the presence of lowest-energy charge transfer transition from the Ru-based-HOMO-to-Q-based-LUMO (MQCT) predicted by theoretical calculations by using time-dependent density functional theory (TD-DFT), the experimental steady-state absorption spectrum does not exhibit such a band. The selective excitation to the Ru-based occupied orbitals-to-tpy-based virtual orbital MLCT state was thus possible, from which charge separation (CS) reaction occurred. The photo-induced CS and thermal charge recombination (CR) reactions were probed by using ultrafast visible-pump/mid-IR-probe (TrIR) spectroscopic method. Analysis of decay kinetics of Q and $Q^-$ state CO stretching modes as well as aromatic C=C stretching mode of tpy ligand gave time constants of <1 ps for CS, 1-3 ps for CR, and 10-20 ps for vibrational cooling processes. The electron transfer pathway was revealed to be Ru-tpy-Q rather than Ru-bpy-imidazol-Q.

• Journal of the Korean Chemical Society
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• v.48 no.3
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• pp.229-235
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• 2004

For the study of hydrogen bonding phenomenon of high energetic compounds, we have been carried out a theoretical calculations for the nitromethane with the program Gaussian-98. The calculations at levels of restricted BLYP/6-311++G(d,p), B3LYP/6-311++G(d,p) and MP2/6-311++G have been performed to obtain molecular structures, hydrogen bonding effects and vibrational spectra of nitromethane monomer and dimer. The results show nitromethane is favored to make two hydrogen bonds between molecules and the nitromethane dimer is more stable than the monomer about 15.2, 19.4 and 32.6 kJ/mol for the BLYP, B3LYP, and MP2 level calculations, respectively.

• Nuclear Engineering and Technology
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• v.5 no.4
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• pp.265-278
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• 1973

The incoherent neutron scattering cross section of molecular liquids is analyzed using a damping function model for correlation functions of molecular translations and rotations. The present approach is different from recent works in that the scattering function is evaluated directly, not through the intermediate scattering function. The damping fuction is determined from a simple relation between its long-wavelength limit and the generalized frequency distribution function, and translation-rotation couplings are assumed to be neglected. A physical model is used for the translational motions of center-of-mass of a molecule, including properly its short-time and long-time behaviors. A simple model for the rotational motions is suggested which relates the damping function to the Fourier transform of the dipole correlation function, or equivalently, the infrared vibrational absorption spectrum. Theoretical absolute scattering intensities are computed for liquid methane and shown to be in satisfactory agreement with both thermal and cold neutron measurements.

• Journal of the Microelectronics and Packaging Society
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• v.13 no.3 s.40
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• pp.9-12
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• 2006

We have designed and fabricated micro power generators by electroplating which is important in MEMS(micro electro mechanical system) technique. We have electroplated MEMS coils on the glass substrates and have chosen one of these coils for experiments. The thickness, width, and length of the coil are $7{\mu}m,\;20{\mu}m$, and 1.6 m, respectively. We have analyzed the structure of MEMS coil by SEM. We have made a vibrating system for reproducible results in measurement. With reciprocating a magnet on the surface of a fabricated winding coil, the micro power generator produce an alternating voltage. We have changed the vibrational frequency from 0.5 Hz to 8 Hz. The generated voltage was 106 mV at 3 Hz and 198 mV at 6 Hz. We aim at the micro power generator which can change vibration energy to useful electric energy.

• Journal of the Korean Chemical Society
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• v.61 no.6
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• pp.328-338
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• 2017

The density functional theory(DFT) and ab initio calculations have been applied to investigate hydrogen interaction of $H_2O_3(H_2O)_n$ clusters(n=1-5). The structures, IR spectra, and H-bonding energies are calculated at various levels of theory. The $trans-H_2O_3$ monomer is predicted to be thermodynamically more stable than cis form at the CCSD(T)/cc-pVTZ level of theory. For clusters, the geometries are optimized at the MP2/cc-pVTZ level of theory. The binding energy of $H_2O_3-H_2O$ cluster is predicted to be -6.39 kcal/mol at the CCSD(T)//MP2/cc-pVTZ level of theory after zero-point vibrational energy (ZPVE) and basis set superposition error (BSSE) correction. This result implies that $H_2O_3$ is a stronger proton donor(acid) than either $H_2O$ or $H_2O_2$. The average binding energies per $H_2O$ are predicted to be 8.25 kcal/mol for n=2, 7.22 kcal/mol for n=3, 8.50 kcal/mol for n=4, and 8.16 kcal/mol for n=5.

• Journal of Korean Society of Steel Construction
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• v.26 no.3
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• pp.177-189
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• 2014

When floor vibration problems occur in existing buildings, TMD (tuned mass damper) can be a viable alternative to resolving the problem. Only when TMD has been exactly tuned to the natural frequency of the floor, it can control the vibration as intended in design. However, TMD gets inefficient in the situation where the natural frequency changes as a result of the uncontrollable variation of the floor mass weight. This physical phenomenon is often called as TMD-off-tuning. This study proposes asymmetric TMD for enhancing the robustness of floor vibration control against uncertain natural frequencies. The proposed TMD features two asymmetric linear springs such that the floor vibrational energy can be dissipated through both the translational and rotational motion. An easy-to-use graphical optimization method was developed in this study. The asymmetric TMD proposed outperformed in vibration control by 28% compared to that of conventional TMD. The robustness of asymmetric TMD of this study was two times higher than that of conventional TMD.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.33 no.9
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• pp.56-65
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• 2005

A dynamic analysis method that freezes a time domain by discretization and solves the spatial propagation equation has a unique feature that provides a degree of freedom on spatial domain compared with the space discretization or space-time discretization finite element method. Using this feature, the time finite element analysis can be effectively applied to optimize the spatial characteristics of distributed type actuators. In this research, the time domain finite element method was used to discretize the model. A state variable vector was used in the discretization to include arbitrary initial conditions. A performance index was proposed on spatial domain to consider both potential and vibrational energy, so that the resulting shape of the distributed actuator was optimized for dynamic control of the structure. It is assumed that the structure satisfies the final rest condition using the realizable control scheme although the initial disturbance can affect the system response. Both equations on states and costates were derived based on the selected performance index and structural model. Ricatti matrix differential equations on state and costate variables were derived by the reconfiguration of the sub-matrices and application of time/space boundary conditions, and finally optimal actuator distribution was obtained. Numerical simulation results validated the proposed actuator shape optimization scheme.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.9 no.5
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• pp.447-453
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• 1999

Congruent $LiNbO_3$ crystals with doped Mg and codoped with Mn or Fe were grown by the Czochralski method. It is known that the physical properties of $LiNbO_3$ depend strongly on the addition of Mg and transition metals. This is established by studying the following properties; XRD patterns, the phase transition temperature, energy of the fundamental absorption edge, the shape of the absorption band of the $OH^-$ vibration and lines of the ESR of $Fe^{3+},\; Mn^{2+}$. The position of the UV absorption edge and the shape and peak point of the absorption band of the $OH^-$ vibrational band changed monotonously up to a critical concentration of $Mg^{2+}$ ions. The mechanism of the incorporation of Mg ions changes at this concentration. The transition temperature was estimated by measuring the dielectric temperature behavior up to $1230^{\circ}C$ in a frequency range of 100Hz to 10MHz. EPR of $Mn^{2+}\;and\; Fe^{3+}$ ions were employed to investigated the Mg doping effects in the $LiNbO_3$ crystal. The increase of linewidths and the asymmetry of signals were observed in all crystals. New signals of $Fe^{3+}$ arising from the new centers were observed I the heavily Mg-doped crystals.

• Korean Journal of Optics and Photonics
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• v.9 no.4
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• pp.221-226
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• 1998

Ternary heavy metal oxide glasses in the $PbO-Bi_2O_3-Ga_2O_3$ system doped with $Er_2O_3$ were prepared and their spectroscopic properties, such as radiative transition probability, calculated and measured radiative lifetimes and cross-sections of 1.5 $\mu\textrm{m}$ and 2.7 $\mu\textrm{m}$ emissions were analyzed. Enhanced quantum efficiencies of some electronic transitions were evident mainly because of the low vibrational phonon energy ($~500cm^{-1}$) inherent in the host glasses. This seems to be the main reason for obtaining the 2.7 $\mu\textrm{m}$ luminescence which is normally quenched in the conventional oxide glasses. In addition, green and red fluorescence emissions were observed through the frequency upconversion processes of the 798 nm excitation. Non-radiative transition due to the multiphonon relaxation is a dominant lifetime-shortening mechanism in the 4f-4f transitions in $Er^{3+}$ ion except for the $^4S_{3/2}{\rightarrow}^4I_{15/2}$ transition where a non-radiative transfer to band-gap excitation of the host glasses is dominant. Melting of glasses under an inert gas atmosphere and (or) addition of the typical glass-network former into glasses is necessary in order to enhance the quantum efficiency of the transition.

• Journal of the Korea institute for structural maintenance and inspection
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• v.24 no.5
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• pp.135-142
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• 2020

In the case of a concrete structure, vibration problems occur under various conditions because of its low damping performance. To solve this problem, a study on the high damping performance of the polymer concrete with hybrid damper has recently been increased. Since water is not used in polymer concrete, the curing time is short. Also, the physical properties and dynamic properties of polymer concrete are quite excellent. So polymer concrete is widely expected to be used for structural materials. The hybrid damper is the structural system that consists of steel balls and viscous fluid inside the pipe which is embedded in polymer concrete. It can reduce the structural vibrations through the energy dissipation mechanism of viscous fluid and steel balls. In this study, the physical and dynamic properties of polymer concrete with hybrid damper were compared with ordinary concrete. As a result, the elasticity coefficient and the strength of the polymer concrete with hybrid damper were so much excellent. In particular, the tensile strength was 6.5 to 10 times higher than ordinary concrete. The frequency response function and damping ratio were also compared. As a result, the dynamic Stiffness of the polymer concrete was 25% greater than that of ordinary concrete. The damping ratio of the polymer concrete was approximately 3 times higher than that of ordinary concrete. Although the dynamic stiffness of the hybrid damper showed similar tendency, the damping ratio was 3.5 times higher than that of ordinary concrete. Therefore, the polymer concrete with hybrid damper was superior to ordinary concrete.