• Analytical Science and Technology
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• v.17 no.4
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• pp.315-321
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• 2004

The aim of this study was to investigate the evidential value of blue and black ballpoint pens on paper by nondestructive techniques. In this work, 21 blue and 22 black ballpoint pens which were purchased on different brands were analyzed by Raman Spectroscopy and Video Spectral Comparator (VSC). Surface-Enhanced Resonance Raman Spectroscopy (SERRS) with excitation at 685 nm and VSC with several spot light filters were used for the discrimination of ballpoint pen inks. In the SERR spectra, the ballpoint pen inks on paper could be shown sharp spectral bands and distinguished by their band shapes and relative intensities. In the blue and black ballpoint pen inks, the discriminating powers (DP) by SERRS were 0.85 and 0.67 and the DP by VSC were 0.88 and 0.90, respectively. The DP by combined sequence of techniques was all 0.97 in both black and blue ballpoint pen inks.

• Journal of Surface Science and Engineering
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• v.32 no.3
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• pp.461-466
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• 1999

Diamond-like carbon(DLC) films were directly deposited onto germanium(Ge) witness pieces and lenses by a capacitively coupled 13.56 MHz RF glow discharge plasma with $CH_4$ gas. The characterizations of DLC films were measured using a Raman and FTIR spectrometer. The configuration of Raman and FTIR spectra had a traditional shape. The IR transmittance was measured using an IR spectrophotometer. The maximum values of the IR transmission of Ge with the DLC/Ge/DLC, DLC/Ge/BBAR (broad band antireflection), DLC/Ge, and BBAR/Ge structures are 98%, 93%, 64%, and 63.5%, respectively, which come up to the theoretical values. The uniform DLC films were obtained by a rotation of the cathode at certain conditions.

• Bulletin of the Korean Chemical Society
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• v.7 no.1
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• pp.59-62
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• 1986

Folded Box coherent anti-Stokes Raman spectroscopy (FBCARS) spectra of the fundamental symmetric stretch(213 $cm^{-1}$) and the first overtone(421 $cm^{-1}$) of $I_2$ have been recorded over the pump wavelength range from 495 nm to 580 nm. The lineshapes were fitted using the least squares method and the A and C term of CARS were calculated. From the fitting of A and C terms, the real(R) and imaginary(I) term intensity of CARS were calculated using harmonic oscillator program. The calculated CARS excitation profile of $I_2$ with R and I term data was about 270 $cm^{-1}$ red shifted from the absorption spectrum.

• Bulletin of the Korean Chemical Society
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• v.22 no.5
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• pp.455-462
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• 2001

The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extracts the underlying potential energy surface piece by piece by tracking the time-dependent data, which can be synthesized from Raman excitation profiles. We have demonstrated the algorithm to extract the potential energy surface of electronic excited state for NO2 molecule where the wave packet split on a saddle-shaped surface. Finally, we describe the merits of the time-dependent tracking inversion method compared with the time-independent inversion method and discussed several extensions of the algorithm.

• Bulletin of the Korean Chemical Society
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• v.18 no.10
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• pp.1076-1082
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• 1997

The infrared, Raman, and jet-cooled laser-induced fluorescence excitation spectra of 1,2,3,4-tetrahydronaphthalene have been recorded and analyzed. The observed vibrations have been assigned to understand the conformational behaviors in its electronic ground (S0) and excited (S1) states. Ab initio at the HF/6-31G** level and molecular mechanics (MM3) force field calculations have been carried out to generate the complete normal mode frequencies of the molecule in its S0 state. The vibrational frequencies calculated from the ab initio method show a better agreement with the observed infrared and Raman frequencies than those calculated from the MM3 method. In several cases, the normal mode calculations were very helpful to clarify some ambiguities of previous assignments. In addition, the ring inversion process between two twisted conformers of 1,2,3,4-tetrahydronaphthalene has been reexamined utilizing ab initio calculation. The results show that the ring inversion energy is in the range of 3.7-4.3 kcal/mol which is higher than the previously reported AM1 value of 2.1 kcal/mol.

• Bulletin of the Korean Chemical Society
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• v.21 no.12
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• pp.1181-1186
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• 2000

The structural evolution during the thermal treatment of $70SiO_2-3OTiO_2(mole%)$ sol-gel derived powders and films was investigated by FT-IR, Raman and XPS, and XRD. From these results, the $TiO_2-rich$ regions involving $Ti^{4+}$ ions in octahedral coordination were confirmed to be amorphous at $600^{\circ}C$. However, Raman spectra along with XRD patterns indicated that at high temperature (above $700^{\circ}C)$, the amorphous $TiO_2was$ segregating to form anatase crystal. Also, the effect of experimental variables such as thermal treatment, heating rate and exposure to water vapor on structural changes, refractive index and thickness of the film coated on sodalime-silicate glass were investigated.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.31 no.3
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• pp.112-115
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• 2021

Herein, a correlation between B-site cation order and spin-phonon coupling in La₂NiMnO₆ double perovskite has been investigated. Raman spectra of La₂NiMnO₆ double perovskite annealed at 950 and 1400℃ have been measured in the 140-598 K range. A substantial softening of the phonon modes has been observed below the Curie temperature, which emphasized the presence of the spin-phonon coupling in the system. The spin-phonon coupling was found to be stronger in relatively more ordered La₂NiMnO₆ double perovskite. Thus, the magnitude of spin-phonon coupling was influenced by the Ni/Mn cation order.

• Progress in Superconductivity and Cryogenics
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• v.10 no.2
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• pp.24-26
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• 2008

[ $Gd_{1+x}Ba_{2-x}Cu_3O_7$ ] (GdBCO) coated conductors on IBAD-MgO templates have grown by pulsed laser deposition. Critical current of the films were measured as about 90 A/cm by a four-probe method. The optical response of the films was investigated by Raman scattering spectroscopy. According to the Raman scattering spectra, the peaks at $328\;cm^{-1}$, $451\;cm^{-1}$, $504\;cm^{-1}$ were found and assigned to one $B_{1g}$ mode and two $A_{1g}$ modes, respectively. The high critical-current carrying behaviors of the GdBCO coated conductors are ascribed to their 123-structure without exchange of cation and incorporation of oxygen into the cuprates.

• Journal of the Mineralogical Society of Korea
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• v.30 no.2
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• pp.59-70
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• 2017

$SiO_2$ is one of the most abundant constituents of the Earth's crust and mantle. Probing its electronic structures at high pressures is essential to understand their elastic and thermodynamic properties in the Earth's interior. The in situ high-pressure x-ray Raman scattering (XRS) experiment has been effective in providing detailed bonding transitions of the low-z materials under extreme compression. However, the relationship between the local atomic structures and XRS features at high pressure has not been fully established. The ab initio calculations have been used to overcome such experimental difficulties. Here we report the partial density of states (PDOS) of O atoms and the O K-edge XRS spectra of ${\alpha}-quartz$, ${\alpha}-cristobalite$, and $CaCl_2$-type $SiO_2$ phases calculated using ab initio calculations based on the full-potential linearized augmented plane wave (FP-LAPW) method. The unoccupied O PDOSs of the $CaCl_2$-type $SiO_2$ calculated with and without applying the core-hole effects present significantly distinctive features. The unoccupied O p states of the ${\alpha}-quartz$, ${\alpha}-cristobalite$ and $CaCl_2$-type $SiO_2$ calculated with considering the core-hole effect present similar features to their calculated O K-edge XRS spectra. This confirms that characteristic features in the O K-edge XRS stem from the electronic transition from 1s to unoccupied 2p states. The current results indicate that the core-hole effects should be taken in to consideration to calculate the precise O K-edge XRS features of the $SiO_2$ polymorphs at high pressure. Furthermore, we also calculated O K-edge XRS spectrum for $CaCl_2$-type $SiO_2$ at ~63 GPa. As the experimental spectra for these high pressure phases are not currently available, the current results for the $CaCl_2$-type $SiO_2$ provide useful prospect to predict in situ high-pressure XRS spectra.

• Korean Journal of Mineralogy and Petrology
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• v.35 no.4
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• pp.409-421
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• 2022

Achieving a highly resolved spatial distribution of Mn-bearing minerals and elements in the natural ferromanganese nodules can provide detailed knowledge of the temporal variations of geochemical conditions affecting the formation processes of nodules. While a recent study utilizing Raman spectroscopy has reported the changes in the manganate mineral phases with growth for spherical nodules from the Arctic Sea, the distributions of minerals and elements in the nodules from the shallow Arctic Sea with non-spherical forms have not yet fully elucidated. Here, we reported the micro-laser Raman spectra with varying data acquisition points along three different profiles from the center to the outermost rim of the non-spherical ferromanganese nodules collected from the East Siberian Sea (~73 m). The elemental distributions in the nodule (such as Mn, Fe, etc.) were also investigated by energy dispersive X-ray spectroscopy (EDS) analysis to observe the internal structure and mineralogical details. Based on the microscopic observation, the internal structures of a non-spherical nodule can be divided into three different regions, which are sediment-rich core, iron-rich substrate, and Mn-Fe layers. The Raman results show that the Mn-bearing mineral phases vary with the data acquisition points in the Mn-Fe layer, suggesting the changes in the geochemical conditions during nodule formation. In addition, we also observe that the mineral composition and structural characteristics depend on the profile direction from the core to the rim. Particularly, the Raman spectra obtained along one profile show the lack of Fe-(oxy)hydroxides and the noticeably high crystallinity of Mn-bearing minerals such as birnessite and todorokite. On the other hand, the spectra obtained along the other two profiles present the presence of significant amount of amorphous or poorly-ordered Fe-bearing minerals and the low crystallinity of Mn-bearing minerals. These results suggest that the diagenetic conditions varied with the different growth directions. We also observed the presence of halite in several layers in the nodule, which can be evidence of the alteration of seawater after nodule formation. The current results can provide the opportunity to obtain detailed knowledge of the formation process and geochemical environments recorded in the natural non-spherical ferromanganese nodule.