• Bulletin of the Korean Chemical Society
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• v.25 no.3
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• pp.426-428
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• 2004

• Journal of the Korean Chemical Society
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• v.48 no.3
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• pp.261-265
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• 2004

We investigated the order of local movement of functional groups (-C(=O)O) in a liquid crystalline (LC) oligomer (12-4) using 2D Raman correlation spectroscopy. The results suggest that the free carbonyl near the ethyl terminal group moved first, followed by the hydrogen-bonded group. The free carbonyl group between the biphenyl groups rarely moved. Interestingly, 2D sample-to-sample correlation spectroscopy (2D STSCS) revealed that some of the carbonyl modes started to move at far below (50$^{\circ}C$) the LC temperature (135$^{\circ}C$), countering conventional beliefs.

• Carbon letters
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• v.9 no.2
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• pp.127-130
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• 2008

This study aims to find a correlation between XRD and Raman result of the activated carbon fibers as a function of its activation degrees. La of the isotropic carbon fiber prepared by oxidation in carbon dioxide gas have been observed using laser Raman spectroscopy. The basic structural parameters of the fibers were evaluated by XRD as well, and compared with Raman result. The La of the carbon fibers were measured to be 25.5 ${\AA}$ from Raman analysis and 23.6 ${\AA}$ from XRD analysis. La of the ACFs were 23.6 ${\AA}$ and 20.4 ${\AA}$, respectively, representing less ordered through activation process. It seems that the $I_D/I_G$ of Raman spectra were related to crystallite size(La). Raman spectroscopy has demonstrated its unique ability to detect structural changes during the activation of the fibers. There was good correlation between the La value obtained from Raman and XRD.

• Journal of the Korean Chemical Society
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• v.47 no.5
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• pp.447-459
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• 2003

Generalized 2D correlation spectroscopy has been applied extensively to the analysis of spectral data sets obtained during the observation of a system under some external perturbation. It is used in various fields of spectroscopy including IR, Raman, UV, fluorescence, X-ray diffraction, and X-ray absorption spectroscopy (XAS) as well as chromatography. 2D hetero-spectral correlation analysis compares two completely different types of spectra obtained for a system under the same perturbation. Because of the wide range of applications of this technique, it has become one of the standard analytical techniques for the analytical chemistry, physical chemistry, biochemistry, and so on, and for studies of polymers, biomolecules, nanomaterials, etc. In this paper, we will introduce the principle of generalized 2D correlation spectroscopy and its applications that we have studied.

• Bulletin of the Korean Chemical Society
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• v.24 no.3
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• pp.357-362
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• 2003

The pathway producing imide ring closure during the thermal imidization of poly(amic acid) (PAA) was investigated in detail using a new analytical method, two-dimensional (2D) Raman correlation spectroscopy. The signs of the cross peaks in synchronous spectra provided evidence of the thermal imidization of PAA into PI as the heating temperature increased. The signs of the cross peaks in asynchronous spectra suggested that the imide-related modes changed prior to the amide or carboxylic mode, which indicates that cyclization occurred before the amide proton was abstracted.

• Korean Journal of Agricultural Science
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• v.50 no.4
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• pp.675-696
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• 2023

Terpenoids, also referred to as terpenes, are a large family of naturally occurring chemical compounds present in the essential oils extracted from medicinal plants. In this study, a nondestructive methodology was created by combining ATR-FT-IR (attenuated total reflectance-Fourier transform infrared), and Raman spectroscopy for the terpenoids assessment in medicinal plants essential oils from ten different geographical locations. Partial least squares regression (PLSR) and support vector regression (SVR) were used as machine learning methodologies. However, a deep learning based model called as one-dimensional convolutional neural network (1D CNN) were also developed for models comparison. With a correlation coefficient (R²) of 0.999 and a lowest RMSEP (root mean squared error of prediction) of 0.006% for the prediction datasets, the SVR model created for FT-IR spectral data outperformed both the PLSR and 1 D CNN models. On the other hand, for the classification of essential oils derived from plants collected from various geographical regions, the created SVM (support vector machine) classification model for Raman spectroscopic data obtained an overall classification accuracy of 0.997% which was superior than the FT-IR (0.986%) data. Based on the results we propose that FT-IR spectroscopy, when coupled with the SVR model, has a significant potential for the non-destructive identification of terpenoids in essential oils compared with destructive chemical analysis methods.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.288.1-288.1
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• 2014

We investigated the optical properties of Ge1-xSex and Ge1-x-ySexAsy amorphous semiconductor films using spectroscopic ellipsometry and Raman spectroscopy. The dielectric functions and absorption coefficients of the amorphous films were determined from the measured ellipsometric angles. We obtained the optical gap energies and Urbach energies from the absorption coefficients, and found a strong bowing effect in the optical gap energy of Ge1-x-ySexAsy where the endpoint binaries were Ge0.50Se0.50 and Ge0.31As0.69. Based on the correlation between optical gap energies and Urbach energies, the large bowing parameter was attributed to the electronic disorder. We found the composition dependence of several phonon modes using Raman spectroscopy. For Ge1-x-ySexAsy, the D mode (232-267 cm-1) changed from As-As (or As3 pyramid), to As(Se1/2)3 pyramid, and finally to Se clusters, as the Se composition increased. Resonant Raman phenomenon was observed in Ge0.38Se0.62 at a laser excitation of 514 nm (2.41 eV). We verified that this laser energy corresponds to the transition energy of Ge0.38Se0.62 using the second derivative of the dielectric function of Ge0.38Se0.62.