• Bulletin of the Korean Chemical Society
• /
• v.33 no.10
• /
• pp.3391-3396
• /
• 2012

Two-dimensional infrared (2D-IR) spectroscopy can probe the fast structural evolution of molecules under thermal equilibrium. Vibrational frequency fluctuation caused by structural evolution produced the time-dependent line shape change in 2D-IR spectrum. A variety of methods has been used to connect the evolution of 2D-IR spectrum with Frequency-Frequency Correlation Function (FFCF), which connects the experimental observables to a molecular level description. Here, a new method to extract FFCF from 2D-IR spectra is described. The experimental observable is the time-dependent frequency shift of maximum peak position in the slice spectrum of 2D-IR, which is taken along the excitation frequency axis. The direct relation between the 2D-IR peak shift and FFCF is proved analytically. Observing the 2D-IR peak shift does not need the full 2D-IR spectrum which covers 0-1 and 1-2 bands. Thus data collection time to determine FFCF can be reduced significantly, which helps the detection of transient species.

• Journal of the Korean Vacuum Society
• /
• v.17 no.3
• /
• pp.215-219
• /
• 2008

The bonding structure and composition of silicon nitride (SiNx) films were investigated by using Fourier transform infrared spectroscopy (FT-IR). SiNx films were deposited on Si substrate at $340^{\circ}C$ using a conventional PECVD system. The compositions of Si and N in SiNx films were confirmed by using Rutherford backscattering spectroscopy (RBS) and photoluminescence (PL) analysis. The surface morphology of SiNx films was also analyzed by using atomic force microscopy (AFM). It was found that the contents of NH(at. %) is the reverse related with those of SiH corresponding to the result of FT-IR. we conclude that a quantitative analysis on SiNx films can be possible through a precise detection of the contents of H in SiNx films with a FT-IR analysis only.

• Analytical Science and Technology
• /
• v.12 no.6
• /
• pp.509-514
• /
• 1999

The systematic modification of titanium(IV) isopropoxide with acetic acid as a organic additive was done and identifided by FT-IR, $^1H$, $^{13}C$ NMR and UV-Vis spectroscopy. The structure was cbanged after hydrolysis-condensation reaction and drying process. The hydrolysis-condensation rates of modified Ti alkoxide with acetic acid were investigated by $^1H$ NMR spectroscopy. This modified Ti(IV) alkoxide was less reactive toward hydrolysis-condensation reaction than $Ti(OPr^i)_4$, which can be attributed to the stable ligand structure between Ti alkoxide and ligand. The structural change on obtained from gel powders with heat treatment was also observed by FT-IR spectroscopy.

• Bulletin of the Korean Chemical Society
• /
• v.25 no.10
• /
• pp.1461-1462
• /
• 2004

• Journal of Electrochemical Science and Technology
• /
• v.11 no.2
• /
• pp.165-171
• /
• 2020

The electrochemical preparation and spectroscopic characterisation of iridium-antimony (Ir-Sb) species is important owing to their potential applications as nanostructure materials. Nanostructures, i.e. nanoflower and nanodisk, of Ir-Sb were electrodeposited on conductive substrates using a practical electrochemical method based on the simultaneous underpotential deposition (UPD) of Ir and Sb from the IrCl₃ and Sb₂O₃ at a constant potential. Electrochemical UPD mechanism of Ir-Sb was studied using cyclic voltammetry and potential-controlled electrochemical deposition techniques. Herein, X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, X-ray photoelectron and Raman spectroscopy were used to determine the morphological and structural properties of the electrochemically-synthesised Ir-Sb nanostructures.

• Journal of the Korean Chemical Society
• /
• v.38 no.2
• /
• pp.169-173
• /
• 1994

The previously reported cytotoxic metabolites, against the KB cell line, xestoquinone, halenaquinol sulfate and $halenaquinol^{5,6}$ were isolated from the unidentified sponge collected in October 1992, Manado Bay, Sulawesi in Indonesia. Their structure were elucidated by $^1H-,\;^{13}C$-NMR, $^1H-,\;^{13}C$(1 bond) Heteronuclear Multiple Quantum Coherence Spectroscopy$(HMQC)^1$, $^1H-,\;^{13}C$C(2 and 3 bond) Heteronuclear multiple Bond Correlation Spectroscopy$(HMBC)^2$, Electron Impact Mass Spectroscopy(EI ms), Ultraviolet Spectroscopy(UV), and Infrared Spectroscopy(IR)

• Bulletin of the Korean Chemical Society
• /
• v.26 no.6
• /
• pp.995-997
• /
• 2005

• Journal of the Korean Chemical Society
• /
• v.39 no.4
• /
• pp.301-305
• /
• 1995

The cytotoxic metabolites, against the KB cell line, halenaquinone, epispongiatriol and aldisin were isolated from the sponge Spongia sp. collected in September 1992, Manado Bay, Sulawesi in Indonesia. Their structures were elucidated by 1H, 13C NMR, 1H 13C(1 bond) Heteronuclear Multiple Quantum Coherence Spectroscopy (HMQC), 1H 13C(2 and 3 bond) Heteronuclear Multiple Bond Correlation Spectroscopy (HMBC), Electron Impact Mass Spectroscopy (EI ms) and Infrared Spectroscopy (IR).

• Textile Coloration and Finishing
• /
• v.15 no.4
• /
• pp.17-23
• /
• 2003

Fourier transform infrared spectroscopy(FT-IR) was used to characterize the intermolecular ester crosslinkages in cotton cellulose. The FT-IR data show that the band of the ester carbonyl group can be separated from overlapping carboxyl/carbonyl band by converting carboxyl group to carboxylate. When esterification occurs between a polycarboxylic acid and cotton cellulose, the carbonyl groups retained in the cotton exist in three forms; ester, carboxyl, and carboxylate anion. The FT-IR data were also correlated to the durable press rating result obtained. The appearance of BTCA-finished durable press silk/cotton fabrics were improved.

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