• Journal of the Korean Chemical Society
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• v.25 no.6
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• pp.343-350
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• 1981

The crystal and molecular structure of P-aminobenzaldehyde cyclohexylthiosemicarbazone, C14H20N4S, has been determined from 2712 integrated intensities measured on a computer controlled four circle diffractometer with monochromated $CuK_{\alpha}$, X-ray radiation. The crystals are monoclinic, space group C2/c with eight molecules in a unit cell of dimensions, a = 12.488(2), b = 12.276(4), c = 19.997(6)${\AA}$ and ${\beta}=103.55(3)^{\circ}$. The structure was solved by Patterson and Fourier method and refined by a full-matrix least squares method to a final R value of 0.058 for all reflections. The C(8)-S bond is trans to N(2)-N(3) and C(8)-N(1) is cis to N(2)-N(3) bond. The cyclohexane ring has chair conformation and makes an angle of $40.7^{\circ}$ with the benzene ring. The molecules are linked by N(2)H…S hydrogen bonds into dimer-like units which are held together by $N-H{\ldots}N$ hydrogen bonds. Sulfur accepts second rather weak hydrogen bond from N(4). An intramolecular hydrogen bond exists between N(1) and N(3) atoms.

• The Journal of Korean Academy of Prosthodontics
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• v.47 no.2
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• pp.174-181
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• 2009

Statement of problem: There is a reduction of dentin bonding strength when the bonding procedure is carried out immediately after bleaching with peroxides. Purpose: The aim of this study is to evaluate a proper time interval for in-office bleaching technique using 35% hydrogen peroxide. Material and methods: Fifty extracted non-caries human third molars were used in this study. Buccal enamel of each tooth was removed and polished by 600 grits silicone carbide paper. They were randomly divided into five groups and bleached 35% hydrogen peroxide except control group. All groups were bonded with Single Bond/Z 350 after each time intervals ; Group-A: control, no bleaching treatment. Group-B: resin bonding immediately after bleaching. Group-C: resin bonding 1day after bleaching. Group-D: resin bonding 2 days after bleaching. Group-E: resin bonding 7days after bleaching. Shear bond strengths were measured with a cross-head speed of 1.0 mm/min using an Instron machine. The data of results were statistically analyzed by analysis of variance(ANOVA) and Tukey multiple comparison test.(P=.05) Results: There were significant decreases in mean shear strength in immediately bonding group after bleaching. The reduction of bond strengths was 78% compared with the group of no bleaching treatment. Group C showed the recovery of 51%, and Group D showed recovery of 63%. Both of them have no statistical difference with non-bleaching group. Group E showed no statistical difference with no bleaching treatment group. Conclusion: Dentin bonding strength is significantly reduced when bonding is performed immediately after bleaching for in-office bleaching regimens using 35% hydrogen peroxide, and increases as time goes by. One week of elapsed time between bleaching and resin bonding significantly increases bonding strengths for the in-office bleaching technique.

• Transactions of the Korean hydrogen and new energy society
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• v.24 no.6
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• pp.467-471
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• 2013

In present work, optimized the manufacturing process of anode-supported tubular SOFCs cell and stack were studied. For this purpose, we first developed a high performance tubular SOFC cell, and then made electrical connection in series to get high voltage. The gas sealing was established by attaching single cells to alumina jig with ceramic bond. Through these process, we can obtain such high OVP as around 15V, which means that the electrical connection and gas sealing were optimized. Finally we developed a new tubular SOFC stack which shows a maximum power of 65W @ $800^{\circ}C$.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.777-779
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• 2003

Density functional calculations and ab initio calculations have been carried out to study the lowest energy structure of the water ($H_2O)_{11}$. Among five structures suggested by four different groups, the lowest energy structure is found to have the skeletal structure of Prism56 (Pr56-24) that a cyclic pentamer and a cyclic hexamer are fused into a prism-shape with 16 hydrogen-bonds (HBs).

• Bulletin of the Korean Chemical Society
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• v.24 no.8
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• pp.1097-1101
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• 2003

The cubic and quartic anharmonic force field of malonaldehyde is calculated using density functional theory at the B3LYP/6-31G(d,p) level, and used to simulate coherent infrared vibrational spectra. 12 normal modes are included in the simulation, and the Arnoldi method is employed for the diagonalization of the Hamiltonian. The calculated three pulse infrared signals in the k1 + k2 - k3 direction show signatures of the intramolecular hydrogen bond couplings between the C=O stretch, H-O-C bend and O-H stretch vibrations.

• Bulletin of the Korean Chemical Society
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• v.23 no.9
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• pp.1297-1303
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• 2002

Computations are presented for the catechol-$(H_2O)_n$ (n = 1-3) clusters. A variety of conformers are predicted,and their relative energies are compared. Binding energies of the clusters are computed, and detailed analysis is presented on the harmonic frequencies of stretching modes involving the hydrogen bonding in the clusters, comparing with the experimental observations.

• Bulletin of the Korean Chemical Society
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• v.32 no.1
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• pp.325-328
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• 2011

• Journal of the Korean Chemical Society
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• v.57 no.6
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• pp.721-725
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• 2013

Reaction between 2-pyridinecarboxylic acid (Hpic) and $K_3[Cr(O_2)_4]$ give complex $[Cr(pic)_3].H_2O$ (1) which is characterized by elemental analysis and spectroscopic methods (FT-IR, Raman) and X-ray crystallography. In the crystal structure of 1, chromium atom with coordinated by three nitrogen and three oxygen atoms has a distorted octahedral geometry. Also a water molecule is incorporated in crystal network. Each water molecule acts as hydrogen bond bridging and connects two adjacent complexes by two $O-H{\cdots}O$ hydrogen bonds.

• Elastomers and Composites
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• v.55 no.1
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• pp.51-58
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• 2020

In this study, the thermal oxidation of raw natural rubber (NR) was investigated under controlled conditions by optical image and fourier transform infrared (FT-IR) analysis. The thermal oxidation was performed on a transparent thin film of raw NR coated on a KBr window in a dark chamber at 80℃ under low humidity conditions to completely exclude moisture and restrict light oxidation. Images of the thin film of raw NR were obtained before and after thermal oxidation. FT-IR absorption spectra were measured in the transmission mode at different thermal exposure times. The thermal oxidation of NR was examined by the changes in the absorption peaks at 3449, 1736, 1447, 1377, 1242, 1072, and 833 cm^-1, which corresponded to a hydroxyl group (-OH), a carbonyl group (-C=O) from an aldehyde and a ketone, a methylene group (-CH₂-), a methyl group (-CH₃), a carbon-oxygen single bond (-C-O) from an epoxide, a carbon-oxygen bond (-C-O) from an ether, an alcohol, a peroxide, or a cyclic peroxide, and a cis-methine group (cis-CCH₃=CH-), respectively. In the initial stage of thermal oxidation, two different types of free radicals were produced quickly and randomly by the homolytic cleavage of a double bond and allylic hydrogen abstraction. Aldehydes and ketones were formed from chain scissions of the double bonds and alcohols were produced from allylic hydrogen abstraction at the methylene or methyl groups. Two reactions seemed to proceed competitively with each other. At a later stage, oxidative crosslinks seemed to dominate through the combination of free radicals such as an allyl radical (CH=CHCH₂·), alkoxy radical (RO·), and peroxy radical (ROO·) and the reaction of a hydroperoxide (-ROOH) with a double bond. The image obtained after thermal oxidation showed hardening without cracks. Based on these observations, a plausible two-step mechanism was suggested for chain hardening caused by the thermal oxidation.

• Archives of Pharmacal Research
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• v.7 no.2
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• pp.115-120
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• 1984

The crystals of bromhexine-HCl, $C_{14}$ H$_{21}$ N$_{2}$Br$_{2}$Cl, are orthohombic, space group Pca2 with a = 14.598(2)A, b=12.461(3)A, c =9 9.186(1) A and Z = 4. Intensity dat for 967 reflections (Fobs > 6.sigma.(F)) were collected on a Rigaku-Denki automatic four circle diffractometer. The structure was solved by the Patterson and Fourier methods. Refinements were carried out to the final R value of 0.082. The cyclohexane ring has a normal chair form and the benzene ring is planar. There are three independenet hydrogen bounds in the structure. One is an intermolecular hydrogen bond (N-H... Cl) and the others are intramolecular hydrogen bonds (N-H...Br, N$^{+}$-H...Cl$^{[-10]}$ ) Apart from the hydrogen bounding system the molecules are held together in the crystal by van der Waals force.e.