• Bulletin of the Korean Chemical Society
• /
• v.30 no.5
• /
• pp.1061-1066
• /
• 2009

Two fluoro-substituted 2-pyrazoline derivatives, 1-phenyl-3-(4-methoxyphenyl)-5-(4-fluorophenyl)-2-pyrazoline (1) and 1-phenyl-3-(4-methoxyphenyl)-5-(2-fluoro-phenyl)-2-pyrazoline (2) have been synthesized and characterized by elemental analysis, IR, UV-Vis and fluorescence spectra. The crystal structure of 1 has been determined by X-ray single crystal diffraction. For the two compounds, density functional theory (DFT) calculations of the structures and natural population atomic charge analysis (NPA) have been performed at B3LYP/6-311G** level of theory. By using TD-DFT method, electron spectra of 1 and 2 have been predicted, which are very approximate with the experimental ones. Comparative studies on 1 and 2 indicate that the location change of fluorine atom in 5-position phenyl ring of 2-pyrazoline does not make significant change of geometries and electronic transition bands, but it leads to evident change of atomic charge distributions and peak intensities of UV and fluorescence spectra.

• Bulletin of the Korean Chemical Society
• /
• v.25 no.4
• /
• pp.466-470
• /
• 2004

The crystals of the new melaminium salt, i.e. melaminium acetate acetic acid solvate monohydrate, $C_3H_7N_6^+ {\cdot}CH_3COO^- {\cdot}CH_3COOH{\cdot}H_2O$, were obtained by the slow evaporation of an aqueous solution at room temperature. Powder infrared and Raman spectra were measured and interpreted. The vibrational spectra in the region of internal vibrations of ions corroborate structural data recently published by Perpetuo and Janczak.$^1$ Some spectral features of this new crystal are referred to corresponding one for melamine crystal as well as other melamine complexes in crystalline form. Hydrogen-bonded network present in the crystal gives notable vibrational effect.

• Earthquakes and Structures
• /
• v.4 no.1
• /
• pp.109-132
• /
• 2013

Current codes incorporate simplified methods for the prediction of acceleration demands on secondary structural and non-structural elements at different levels of a building. While the use of simple analysis methods should be advocated, damage to both secondary structural and non-structural elements in recent earthquakes have highlighted the need for improved design procedures for such elements. In order to take a step towards the formation of accurate but simplified methods of predicting floor spectra, this work examines the floor spectra on elastic and inelastic single-degree of freedom systems subject to accelerograms of varying seismic intensity. After identifying the factors that appear to affect the shape and intensity of acceleration demands on secondary structural and non-structural elements, a new series of calibrated equations are proposed to predict floor spectra on single degree of freedom supporting structures. The approach uses concepts of dynamics and inelasticity to define the shape and intensity of the floor spectra at different levels of damping. The results of non-linear time-history analyses of a series of single-degree of freedom supporting structures indicate that the new methodology is very promising. Future research will aim to extend the methodology to multi-degree of freedom supporting structures and run additional verification studies.

• The Bulletin of The Korean Astronomical Society
• /
• v.37 no.2
• /
• pp.80.1-80.1
• /
• 2012

The $2.5-5.0{\mu}m$ spectrum of AGN was poorly understood due to the atmosphere effect beyond $2{\mu}m$. Nevertheless, the $2.5-5.0{\mu}m$ range includes several important lines, such as $Br{\beta}$ ($2.63{\mu}m$), $Br{\alpha}$ ($4.05{\mu}m$), PAH (3.3${\mu}m$) and many molecular or atomic lines. We compile $2.5-5.0{\mu}m$ spectra of 79 AGNs and QSOs from infrared camera (IRC) on AKARI infrared astronomy satellite. Our $2.5-5.0{\mu}m$ spectra will provide an access to full wavelength spectra of AGNs for the first time. Moreover, we present the Brackett line properties, FWHMs and luminosities, of AGNs. Using these Brackett line properties, we derive new black hole (BH) mass estimators. The new BH mass estimators using NIR hydrogen lines will be very useful to estimate BH mass of dusty red AGNs in the future.

• Bulletin of the Korean Chemical Society
• /
• v.35 no.3
• /
• pp.749-752
• /
• 2014

New software was developed for the assignment of elemental formulae based on high-resolution mass spectra and subsequent hydrogen/deuterium exchange data. Entire peaks in high-resolution mass spectra were grouped by their Kendrick mass defect values, and the weighted RMS deviations between theoretical and experimental values were used to determine elemental formulae. After this initial assignment, formulae containing deuterium atoms were sorted in order to interpret hydrogen/deuterium exchange spectra. The software was successfully applied to hydrogen/deuterium exchange spectra of resins and aromatic fractions from heavy crude oil.

• Honam Mathematical Journal
• /
• v.41 no.1
• /
• pp.67-87
• /
• 2019

The main aim of this study is to characterize new classes of multicone graphs which are determined by their adjacency spectra, their Laplacian spectra, their complement with respect to signless Laplacian spectra and their complement with respect to their adjacency spectra. A multicone graph is defined to be the join of a clique and a regular graph. If n is a positive integer, a friendship graph $F_n$ consists of n edge-disjoint triangles that all of them meet in one vertex. It is proved that any connected graph cospectral to a multicone graph $F_n{\nabla}F_n=K_2{\nabla}nK_2{\nabla}nK_2$ is determined by its adjacency spectra as well as its Laplacian spectra. In addition, we show that if $n{\neq}2$, the complement of these graphs are determined by their adjacency spectra. At the end of the paper, it is proved that multicone graphs $F_n{\nabla}F_n=K_2{\nabla}nK_2{\nabla}nK_2$ are determined by their signless Laplacian spectra and also we prove that any graph cospectral to one of multicone graphs $F_n{\nabla}F_n$ is perfect.

• Proceedings of the Korean Institute of Communication Sciences Conference
• /
• 1991.10a
• /
• pp.123-126
• /
• 1991

A generalization of null-spectrum for use in the estimation of directions of arrival of signal sources is considered in this paper. The upper and lower bounds of the generalized null-spectrum, the maximum and minimum null-spectra, are also derived. We observed that the maximum null-spectrum has higher resolution capability than other null-spectra including the two well-known null-spectra, the multiple signal classification null-spectrum and the Min-Norm null-spectrum.

• Earthquakes and Structures
• /
• v.3 no.3_4
• /
• pp.435-455
• /
• 2012

An impact on the ground surface may represent several phenomena, such as a crash of an airplane or an explosion or the passage of a train. In order to analyze and design structures and equipment to resist such a type of shocks, the response spectra for an impact on the ground must be given. We investigated the half-space motions due to impact using the finite element method. We performed extensive parametric analyses to define a suitable finite element model and arrive at displacement time histories and response spectra at varying distances from the impact point. The principal scope of our study has been to derive response spectra which: (a) provide insight and illustrate in detail the half-space response to an impact load, (b) can be readily used for the analysis of structures resting on a ground subjected to an impact and (c) are a new family of results for the impact problem and can serve as reference for future research.

• Bulletin of the Korean Chemical Society
• /
• v.28 no.9
• /
• pp.1539-1544
• /
• 2007

1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between ,C0p,m,S0m,H0m and temperature.

• Earthquakes and Structures
• /
• v.7 no.1
• /
• pp.17-38
• /
• 2014

As the desire for high performance buildings increases, it is increasingly evident that engineers require reliable methods for the estimation of seismic demands on both structural and non-structural components. To this extent, improved tools for the prediction of floor spectra would assist in the assessment of acceleration sensitive non-structural and secondary components. Recently, a new procedure was successfully developed and tested for the simplified construction of floor spectra, at various levels of elastic damping, atop single-degree-of-freedom structures. This paper extends the methodology to multi-degree-of-freedom (MDOF) supporting systems responding in the elastic range, proposing a simplified modal combination approach for floor spectra over upper storeys and accounting for the limited filtering of the ground motion input that occurs over lower storeys. The procedure is tested numerically by comparing predictions with floor spectra obtained from time-history analyses of RC wall structures of 2- to 20-storeys in height. Results demonstrate that the method performs well for MDOF systems responding in the elastic range. Future research should further develop the approach to permit the prediction of floor spectra in MDOF systems that respond in the inelastic range.