• Bulletin of the Korean Chemical Society
• /
• v.28 no.12
• /
• pp.2454-2458
• /
• 2007

Exploring the basic concepts for the design of CO2-philic molecules is important due to the possibility for “green” chemistry in supercritical CO2 as substitute solvent systems. The Lewis acid-base interactions and C?H…O weak hydrogen bonding were suggested as two key factors for the solubility of CO2-philic molecules. We have performed high level quantum mechanical calculations for the van der Waals complexes of CO2 with trimethylphosphate and trimethylphosphine oxide, which have long been used for metal extractants in supercritical CO2 fluid. Structures and energies were calculated using the MP2/6-31+G(d) and recently developed multilevel methods. These studies indicate that the Lewis acid-base interactions have larger impact on the stability of structure than the C?H…O weak hydrogen bonding. The weak hydrogen bonds in trimethylphosphine oxide have an important role to the large supercritical CO2 solubility when a metal is bound to the oxygen atom of the P=O group. Trimethylphosphate has many Lewis acid-base interaction sites so that it can be dissolved into supercritical CO2 easily even when it has metal ion on the oxygen atom of the P=O group, which is indispensable for a good extractant.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.6
• /
• pp.1814-1822
• /
• 2013

By using density functional theory calculations, we have performed a systemic study on the electronic structures and topological properties of interactions between N-butylpyridinium nitrate ($[BPY]^+[NO_3]^-$) and thiophene (TS), benzothiophene (BT), dibenzothiophene (DBT), naphthalene (NAP). The most stable structure of $[BPY]^+[NO_3]^-$ ion pair indicates that hydrogen bonding interactions between oxygen atoms on $[NO_3]^-$ anion and C2-H2 on pyridinium ring play a dominating role in the formation of ion pair. The occurrence of hydrogen bonding, ${\pi}{\cdots}$H-C, and ${\pi}{\cdots}{\pi}$ interactions between $[BPY]^+[NO_3]^-$ and TS, BT, DBT, NAP has been corroborated at the molecular level. But hydrogen bonding and ${\pi}{\cdots}{\pi}$ interactions between $[BPY]^+[NO_3]^-$ and NAP are weak in terms of structural properties and NBO, AIM analyses. DBT is prior to adsorption on N-butylpyridinium nitrate ionic liquid.

• Bulletin of the Korean Chemical Society
• /
• v.32 no.3
• /
• pp.1037-1040
• /
• 2011

The dinuclear complex 1 with cooperative hydrogen bonds can be prepared by the metal-directed reaction of Eq. (2). This work shows that the coordinated hydroxyl group trans to the secondary amino group is deprotonated more readily than that trans to the tertiary amino group and acts as the hydrogen-bond accepter. The lattice water molecules in 1 act as bridges between the two mononuclear units through hydrogen bonds. The complex is quite stable as the dimeric form even in various polar solvents. The complex exhibits a weak antiferromagnetic interaction between the metal ions in spite of relatively long Cu$\cdots$Cu distance. This strongly supports the suggestion that the antiferromagnetic behavior is closely related to the cooperative hydrogen bonds.

• Bulletin of the Korean Chemical Society
• /
• v.6 no.1
• /
• pp.7-11
• /
• 1985

The crystal structure of phlorizin, a ${\beta}$ -D-glucopyranoside of a flavonoid dihydrochalcone phloretin, has been determined by single crystal diffraction methods using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with Cu $K{\alpha}$ radiation from a crystal with space group symmetry $P2_12_12_1$ and unit cell parameters a = 4.9094 (2), b = 19.109 (1), c = 23.275 (4) $\AA$. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.047 for the 1697 observed reflections. The dihydrochalcone moiety is flat and fully extended. The glucose ring has the $^4C_1$ chair conformation and the conformation of the primary alcohol group is gauche-gauche. The crystal packing is dominated by an extensive hydrogen bonding pattern. There are one strong and two weak intramolecular hydrogen bonds in the phlorizin molecule.

• Journal of Korea Technical Association of The Pulp and Paper Industry
• /
• v.42 no.2
• /
• pp.41-45
• /
• 2010

This study was performed to evaluate the effect of paper property changes by internal addition of surface strength agent on printability. Advances in printing technique has required the development of paper qualities in many aspects. Basically paper structure is composed of hydrogen bonds which induce many problems in high speed printing machine because of weak bonding strength. One of the important printing problems is surface picking when mechanical pulp or recycled pulp are used. It was caused by the ink-stained blanket in printing process because accumulations of pollutant in white water and other elements which are bonded weakly or do not have hydrogen bonds. Debris at paper surface adheres to blanket which deteriorates printing efficiency and causes various problems. To complement these problems, Pennocel 5137 of polysaccharide structure was used as an agent to improve paper's surface property, strength and printability. Paper surface picking was analyzed by RI-1 test. As the dosage amount increased tensile strength, fiber bonding strength and ZDT strength were improved. Further more formation, smoothness and surface picking resistance were improved. It was confirmed that when adding polysaccharide structure polymers to improve surface strength such as surface picking resistance, it was also possible to improve tensile strength, fiber bonding strength, formation and smoothness.

• Journal of Korean Ophthalmic Optics Society
• /
• v.13 no.3
• /
• pp.45-50
• /
• 2008

Purpose: A soft contact lens was manufactured by adding naringin known as natural anti-bacterial material to resin solution. With solution eluted from manufactured contact lens, we examined its optical properties, physical and chemical states of naringin in the polymer, and elution properties. Methods: The soft contact lens with naringin was synthesized by bulk polymerization method. IR spectrum and HPLC were used to define the bonding type of naringin itself in the soft contact lens contained naringin, elution process of naringin to the saline solution, and the amount of naringin solution eluted from the lens with elapsed time. Results: Naringin was continuously eluted with constant concentration from the soft contact lens for about a month and the structure ofnaringin which is eluted was as same as before it was added to resin solution. Any change in optical properties such as transmittance couldn't be found. Bonding state and the structure of naringin in contact lens were explained with IR spectrum and HPLC results. Conclusions: In the contact lens with naringin, naringin remained in the contact lens bonding with weak hydrogen bonding and/or van der Waals force between naringin and polymer. Naringin was continuously eluted from the contact lens contained naringin during about 1 month. Even after 1 month, it showed that the concentration of the naringin eluted was approximately 10 ppm in a day. From the results, adding naringin to the soft contact lens resin is very effective method for manufacturing the soft contact lens which has anti-bacterial function for a period of time.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2011.02a
• /
• pp.24-25
• /
• 2011

Molecular self-assembly has several advantages over other nanofabrication methods. Molecular building blocks ensure ultrafine pattern precision, parallel structure formation allows for mass production and a variety of three-dimensional structures are available for fabricating complex structures. Nevertheless, the molecular interaction for self-assembly generally relies on weak forces such as van der Waals force, hydrogen bonding, or hydrophobic interaction. Due to the weak interaction, the structure formation is usually slow and the degree of ordering is low in a self-assembled structure. To promote self-assembly, directed assembly methods employing prepatterned substrates or external fields have been developed and gathered a great deal of technological attention as a next generation nanofabrication process. In this presentation a variety of directed assembly methods for soft nanomaterials including block copolymers, peptides and carbon nanomaterials will be introduced. Block copolymers are representative self-assembling materials extensively utilized in nanofabrication. In contrast to colloid assembly or anodized metal oxides, various shapes of nanostructures, including lines or interconnected networks, can be generated with a precise tunability over their shape and size. Applying prepatterned substrates$^{1,2}$ or introducing thickness modulation$^3$ to block copolymer thin films allowed for the control over the orientational and positional orderings of self-assembled structures. The nanofabrication processes for metals, semiconductors$^4$, carbon nanotubes$^{5,6}$, and graphene$^{6,7}$ templating block copolymer self-assembly will be presented.

• Journal of the Korean Chemical Society
• /
• v.29 no.6
• /
• pp.599-607
• /
• 1985

Near-ir spectra have been obtained for the $ν_3$+ Amide II combination thioacetamide(TA) band in CC$l_4$ and TA-DMP in CC$l_4$ in the range of 5 to 55${\circ}C$. Absorbance of the weak bands of the DMP and solvent has been compensated. The spectra are analyzed by the computer resolution into two Lorentzian-Gaussian product bands which have been identified with monomeric TA and 1 : 1 TA-DMP complex. Equilibrium constants and thermodynamic parameters for the hydrogen bonding between TA and DMP have been evaluated by the analysis of the concentration and temperature dependent spectra for the very dilute CC$l_4$ solutions. The $ΔH{\circ} and ΔS{\circ}$ of TA and DMT have been found to be -14.6 kJmo$l^{-1}$ and -16.2 Jmo$l^{-1}$ de$g^{-1}$.

• Korean Journal of Crystallography
• /
• v.11 no.2
• /
• pp.75-79
• /
• 2000

The complex [Cu(L)(H2O)2] (PDC)(1)(L=2,5,9,12-tetramethyl-1,4,8,11- tetraazacyclotetradecane;PDC=1,4-pyridinedicarboxylate) has been synthesized and characterized by X-ray crys-tallography. The compound 1 crystallizes in the triclinic space group P1, with a=7.553(1)Å, b=9.619(2)Å, c=10.692(2)Å, α=74.22(1)°, β=73.32(1)°, γ=78.70(1)°, V=710.1(2)Å3, Z=1,R1(wR2) for 2634 observed reflections of [I>2σ(I)] was 0.0854(0.2242). The compound 1 is interconnected to give a three-dimensional network through weak hydrogen-bonding interactions.

• Korean Journal of Crystallography
• /
• v.13 no.1
• /
• pp.12-16
• /
• 2002

The complex [Ni(L)](BDC)·4H₂O (1) (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[16,4,O/sup 1.18/,O/sup 7.12/] docosane; BDC = 1,3-benzenedicarboxylate) has been synthesized and characterized by X-ray crystallography. Compound 1 crystallizes in the orthorhombic space group Pcnb, with a = 8.764(2) , b = 17.687(2) , c = 19.475(1) , V = 3018.7(8) ³, Z = 4, R₁, (wR₂) for 2148 observed reflections of [1>2σ(I) was 0.0822 (0.2236). Compound 1 is interconnected to give a three-dimensional network through weak hydrogen-bonding interactions.