• Journal of the Korean Chemical Society
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• v.54 no.3
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• pp.275-282
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• 2010

2-Fluorocyclopropanemethanol and 2-chlorocyclopropanemethanol have been studied with MP2 and B3LYP methods with 6-311++G(d,p) basis set. The optimized structures show several stable conformers. The most stable conformer show the possibility of intramolecular hydrogen bonding, but the distance between $H{\cdots}F$, or $H{\cdots}Cl$ is longer than van der Waals radii and it may not be strong covalent bonding. Rather the second stable conformer has optimum structure for intramolecular hydrogen bonding but the energy of the conformer is 5 ~ 7 kJ higher than the most stable conformer. When the methanol group and the F or Cl atom have opposite direction, the conformers are less stable than the most stable conformer.

• Composites Research
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• v.23 no.3
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• pp.13-18
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• 2010

One of the biggest challenges in the nano-field is how to effectively disperse nano-scale particles, especially CNTs, which are strongly agglomerated by intermolecular van der Waals forces. This study suggests a new method, discharge flocking, in order to disperse nano-scale particles effectively, which combines corona discharge phenomenon and a traditional electrostatic flocking process. In order to evaluate the discharge flocking process, composite specimens were fabricated by the process and RFI(resin film infusion) process, and then the mechanical and electrical properties of the specimens were measured and compared. Moreover, the evaluation of gas discharge effect on the CNTs and epoxy was performed to compare the mechanical and electrical properties of the composite specimens including the plasma treated CNTs. The experimental results showed that the electrical and mechanical properties of the specimens fabricated by the discharge flocking process were similar to those of the RFI process. In addition, plasma treated CNTs were not affected by gas discharge during the discharge flocking process.

• Journal of Korea Technical Association of The Pulp and Paper Industry
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• v.34 no.3
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• pp.1-8
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• 2002

The object of this study was to determine the surface energy of hydrophobically modified micro-crystalline cellulose (MCC) with AKD and evaluate the effect of surface energy of the solid particles dispersed in aqueous medium on flotation efficiency. Especially to eliminate the complication derives from the diverse parameters of solid particles including particle size, type, etc. MCC's modified with AKD have been used. The surface energy Parameters were calculated from advancing contact angles of apolar and polar liquids on MCC pellets using the Lifshitz-van der Waals acid-base (LW:AB) approach. Total surface energy of hydrophobic MCC ranged from 46.19 mN/m to 48.60 mN/m. The contribution of the acid-base components to the total surface energy ranged form 13% to 17% for hydrophobic MCC's. The effect of surface characteristics on the flotation efficiency was evaluated. It was shown that there exist critical values of surface energies to increase flotation efficiency. Total surface energy and polar component of solid particles should be lower than 47 mN/m and 7 mN/m, respectively, for effective removal in the flotation process.

• Journal of the Korean Chemical Society
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• v.20 no.5
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• pp.380-390
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• 1976

The trends of forming a charge transfer complex have been studied for electron donors such as anisole, 4-chloroanisole, 2,4-dichloroanisole, 2-fluoro-4-chloroanisole, 2-bromo-4-chloroanisole, 2-iodo-4-chloroanisole, 2-fluoro-4,6-dichloroanisole, 2,4,6-trichloroanisole, 2-bromo-4,6-dichloroanisole, 2-iodo-4,6-dichloroanisole, and 2-iodo-4,5,6-trichloroanisole, and electron acceptors such as iodine and iodine monochloride in the carbon tetrachloride or the hexane solvent system. It was found that the formation of a charge transfer complex was influenced by the Van der Waals Radii of the 2-halogen atoms on the benzene ring and further the overall steric moiety of the molecule of the electron donor. These trends were also experienced in a system of chloroform and one of the prementioned electron donor by means of a nuclear magnetic resonance spectrometry. The spectrophotometrical data on the formation of the charge transfer complex were presented and the results were discussed with views of the steric structure of the 2-halogen atom on the benzene ring.

• Proceedings of the International Microelectronics And Packaging Society Conference
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• 2002.05a
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• pp.193-197
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• 2002

The tribological properties and van der Waals attractive forces and the thermal stability of films are very important characteristics of highly hydrophobic fluorocarbon (FC) films for the long-term reliability of nano system. The effect of thermal annealing on films and van der Waals attractive forces and friction coefficient of films have been investigate d in this study. It was coated Al wafer which was treated O2 and Ar that ocatfluorocyclobutane ($C_4_{8}$) and Ar were supplied to the CVD chamber in the ratio of 2:3 for deposition of FC Films. Static contact angle and dynamic contact angle were used to characterize FC films. Thickness of films was measured by variable angle spectroscopy ellipsometer (VASE). Nanotribological data was got by atomic force microscopy (AFM) to measure roughness, lateral force microscopy (LFM) to measure friction force, and force vs. distance (FD) curve to evaluate adhesion force. FC films were cured in N2 and vacuum. The film showed the slight changes in its properties after 3 hr annealing. FTIR ATR studies showed the decrease of C-F peak intensity in the spectra as the annealing time increased. A significant decrease of film thickness has been observed. The friction force of Al surface was at least thirty times higher than ones with FC films. The adhesive force of bare Al was greater than 100 nN. After deposit FC films adhesive force was decreased to 40 nN. The adhesive force of films was decreased down to 10 nN after 24 hr annealing. During 24 hr annealing in $N_2$and vacuum at $100^{\circ}C$ film properties were not changed so much.

• Korean Journal of Crystallography
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• v.6 no.2
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• pp.103-110
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• 1995

The crystal structure of 1-Cyclopropyl-7-(2,7-diazabicyclo[3.3.0]oct-4-en-7-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (HCI salt) has been determined from single crystal x-ray diffraction study ; C20H21N3O4FCl, Monoclinic, C2/c, a=28.349(2)Å, b=11.941(2)Å, c=12.806(2)Å, β=96.428(9)°, V=4307.8Å3, T=296(2)K, Z=8, CuKα(λ=1.5418Å). The molecular structure was solved by direct method and refined by full-matrix least squares to a final R=4.96% for 2258 unique observed F0>4σ(F0) reflections and 293 parameters. The conformation of the molecule is stabilized by an intramolecular O(28)-H(28)…O(25) [2.517(4)Å, 156.7(447)°] hydrogen bond. Intermoleculars distances correspond to van der Waals contacts.

• Journal of the Korean Chemical Society
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• v.21 no.1
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• pp.3-15
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• 1977

Crystals of salicylaldehyde-4-morpholinothiosemicarbazone, $C_{12}H_{15}O_2N_3S$, are orthorhombic with space group Pna21. Unit-cell dimensions are a = 11.85(5), b = 15.45(5) c = 7.18(3)${\AA}$ with z = 4. Three-dimensional intensity data were collected from the multiple-film equi-inclination Weissenberg photographs taken with $CuK{\alpha}$ radiation. The intensities were estimated visually. The structure was solved by Patterson and Fourier methods and refined by the block-diagonal least-squares methods until the final R value becomes 0.11 for the 1064 observed independent reflections. The morpholine ring has a chair form. The rest atoms of salicylaldehyde-4-morpholinothiosemicarbazone molecule excluding morpholine ring and sulfur atom approximately lie on a plane. The hydroxyl group of the salicylaldehyde and the nitrogen atom of the thiosemicarbazone form an intramolecular hydrogen bond, $O-H{\cdot}{\cdot}{\cdot}N$, of 2.67${\AA}$. The short intermolecular distances all appear to be normal van der Waals contacts.

• Journal of the Korean Chemical Society
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• v.34 no.1
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• pp.1-9
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• 1990

Cholesteryl pentanoate $(C_{32}O_2H_{54})$ is orthorhombic, space group $P2_12_12_1$, with a = 21.930(3), b = 21.404(3), c = 6.419(5) $\AA$, Z = 4, V = 3012.8(5)$\AA$$^3$, $D_c$ = 1.04 g$cm^{-3}$, ${\lambda}(Mo\; K{\alpha}$ = 0.71069 $\AA$, $\mu$ = 0.58 $cm^{-1}$, F(000) = 1048, T = 298, R = 0.086 for 1502 unique observed reflections with I > 1.0 $\sigma$ (I). The structure was solved by direct methods and refined by cascade diagonal least-squares refinement. The C-H bond lengths and the methyl groups are fixed and refined as their ideal geometry. A comparison with other cholesteryl esters gives normal structure for the tetracyclic ring, while the tail regions of the side chain and the ester group which stands on end, show a variation from their normal values, presumably due to thermal effects. The molecules are stacked together by non-bonded van der Waals forces with the shortest intermolecular distance of 3.529 $\AA$.

• Journal of Adhesion and Interface
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• v.2 no.3
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• pp.1-8
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• 2001

Epoxy composites filled with natural zeolite was prepared to investigate the effects of silane coupling agent, ${\gamma}$-APS (${\gamma}$-aminopropyltriethoxysilane)on the surface free energy, tensile properties and interfacial morphology. The value of Lifshitz-van der Waals component, ${\gamma}{\frac{LW}{SV}}$ for polar was $19.22mJ/m^2$ and increased, while that of Lewis acid-base component, ${\gamma}{\frac{AB}{SV}}$ for polar was $15.27mJ/m^2$ and decreased with the increasing content of ${\gamma}$-APS treatment. It is due that the surface of the zeolite is more coated by hydrophobic of alkyl group than hydrophilic amine or hydroxyl group. The tensile strength and Young's modulus of epoxy system were improved by the treatment with ${\gamma}$-APS due to the strong interface bonding, which was confirmed by SEM.

• Bulletin of the Korean Chemical Society
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• v.16 no.12
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• pp.1193-1203
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• 1995

In this work, we focused on the setup of the tools for the analysis of the final rotational state distribution of photofragments in vibrational predissociations of triatomic van der Waals molecules A-B2. We found that reflection principle used for the direct photodissociation processes can also be applied to find out the final rotational state distributions for indirect photodissociation processes. The quantity which represents the strength of rovibrational coupling between the quasi-bound state and the final state is reflected into the mirror of the classical angular momentum function, instead of the initial state before light absorption used in the reflection principle of direct processes. The sign change in the first derivative of the interaction potential with respect to the bond distance of B2 is found to be the source of the binodal structures in the final rotational distributions of photofragments in the model system studied in this work. In MQDT analysis, short range eigenchannel basis functions were found to be localized in angle, in the previous work [Lee, C.W. Bull. Korean Chem. Soc. 1995, 16, 957.] and may be called angle functions. Angle functions enjoy simple geometrical structures which have simple functional relations with the final state distributions of photofragments. Two processes take place along the angle functions which resemble the quasi-bound state and dominate over other processes. Two such angle functions are found to be not only localized angularly but also localized either one of ends of B2 in motions along the bond of B2. These dominating photodissociation processes, however, cancel each other. This cancellation causes photodissociation to depend sensitively on the interaction potential at other angles than the dominant one. Part of potential surface where much larger torque exists can now play an important role in photodissociation. MQDT also enables us to see which processes play important roles after cancellation. This is done by examining the amounts of time delayed by asymptotic eigenchannels.