• Bulletin of the Korean Chemical Society
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• v.22 no.6
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• pp.575-580
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• 2001

Intramolecular ring-ring interactions in the model compounds, $8-methoxypsoralen-CH_2O(CH_2)n-adenine(MOPCH_2OCnAd$, n=2, 3, 5, and 6) in which 5' position of 8-methoxypsoralne (8-MOP) is linked by different polymethylene bridges to N9 of adenine, have been investigated by hypochromism measurements. Efficient ring-ring stacking interactions have been observed in $MOPCH_2CO2Ad$ (7) from the percent hypochromism(%H) and fluorescence spectra of the models and a reference molecule. The 8-methoxyposralen-adenine systems have shown stronger ring-ring stacking interaction than the psoralen-adenine system.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.205-205
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• 2011

The self-assembly of ${\gamma}$-phenylalanine on Au(111) at 150 K was investigated using scanning tunneling microscopy (STM). Phenylalanine can potentially form two-dimensional (2D) molecular networks through hydrogen bonding (through the carboxyl and amino groups) and ${\pi}-{\pi}$ stacking interactions (via aromatic rings). We found that ${\gamma}$-phenylalanine molecules self-assembled on Au(111) surfaces into well-ordered structures such as ring-shaped clusters (at low and intermediate coverages) and 2D molecular domains (intermediate and monolayer coverages), whereas ${\alpha}$-phenylalanine molecules formed less-ordered structure on Au(111). The self-assembly of ${\gamma}$- but not ${\alpha}$-phenylalanine may be related to the flexibility of the carboxyl and amino groups in the molecule. Moreover, as expected, the 2D molecular network of ${\gamma}$-phenylalanine on Au(111) was mediated by a combination of hydrogen bonding and ${\pi}-{\pi}$ stacking interactions.

• Journal of Photoscience
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• v.7 no.4
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• pp.153-154
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• 2000

No Abstract. See full-text

• Bulletin of the Korean Chemical Society
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• v.28 no.10
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• pp.1715-1719
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• 2007

New bispsoralen derivatives 5-10, 8-MOP-NHCO(CH2)nCONH-8-MOP (BPSBA-Cn, n = 0, 1, 2, 3, 4 and 5) in which 5 position of an 8-methoxypsoralen (8-MOP) is linked by various lengths of bisamide polymethylene chain to 5 position of the other 8-MOP, have been synthesized by the amidation of 5-amino-8-methoxypsoralen (12) with α,ω-alkanoyl dichloride. Photophysical properties of their derivatives including π?π stacking interaction between the two aromatic moieties were investigated by UV absorption and fluorescence emission spectra. Efficient ring-ring stacking interactions have been observed in BPSBA-C4 (9) from the percent hypochromism (%H) of the models.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.24 no.6
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• pp.510-514
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• 2011

Based on first-principles LCAO method, we study the electronic and atomic structures of DNA nucleobases adenine (A), thymine (T), guanine (G), and cytosine (C) adsorbed on graphene surfaces. The ${\pi}-{\pi}$ stacking interactions between graphene and nucleobases lead to the bilayer geometries similar to the Bernal stacked graphite. Through the density of states and charge density analyses, it is found that nucleobases are physisorbed on graphene by dispersive interactions with negligible charge exchange. Our calculations reproduce the atomic structures obtained in previous plane wave calculations accurately with much less computation, and well describe the delocalized ${\pi}-{\pi}$ interactions in graphene-nucleobases system, indicating that the LCAO method is very efficient for investigating graphene-bio systems.

• Advances in nano research
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• v.6 no.4
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• pp.357-375
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• 2018

Two dimensional (2D) atomic layered nanomaterials exhibit some of the most striking phenomena in modern materials research and hold promise for a wide range of applications including energy and biomedical technologies. Graphene has received much attention for having extremely high surface area to mass ratio and excellent electric conductivity. Graphene has also been shown to maximize the activity of surface-assembled metal nanoparticle catalysts due to its unique characteristics of enhancing mass transport of reactants to catalysts. This paper specifically investigates the strategy of pre-formed nanoparticle self-assembly used for the formation of various metal nanoparticles supported on graphene families such as graphene, graphene oxide, and reduced graphene oxide and aims at understanding the interactions between ligand-capped metal nanoparticles and 2D nanomaterials. By varying the functional groups on the ligands between alkyl, aromatic, amine, and alcohol groups, different interactions such as van der Waals, ${\pi}-{\pi}$ stacking, dipole-dipole, and hydrogen bonding are formed as the 2D hybrids produced.

• Bulletin of the Korean Chemical Society
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• v.31 no.12
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• pp.3617-3622
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• 2010

The reaction of stoichiometric amount of $FeCl_2{\cdot}4H_2O$, (2-pyridylmethyl, 3-pyridylmethyl)amine (2,3-pyma) and sodium azide/sodium thiocyanate in methanol under aerobic conditions affords the dinuclear Fe(III) complexes, [(2,3-pyma) $(N_3)_2Fe({\mu}-OCH_3)_2Fe(N_3)_2$(2,3-pyma)]${\cdot}CH_3OH$ (1) and [(2,3-pyma)$(NCS)_2Fe({\mu}-OCH_3)_2Fe(NCS)_2$(2,3-pyma)] (2) in good yield. Two bis-methoxy-bridged diiron(III) complexes are isolated and characterized. The coordination geometries around iron(III) ions in 1 and 2 are the same tetragonally distorted octahedron. The iron(III) ions are coordinated by two nitrogens of a 2,3-pyma, two nitrogens of two azide/thiocyanate ions, and two oxygens of two methoxy groups. Both compounds are isomorphous. The structures of 1 and 2 display the C-$H{\cdots}\pi$ and/or $\pi-\pi$ stacking interactions as well as hydrogen bonding interactions, respectively. Compounds 1 and 2 show significant antiferromagnetic couplings through the bridged methoxy groups between the iron(III) ions in the temperature range from 5 to 300 K ($H=-2JS_1{\cdot}S_2$, J=-19.1 and $-13.9\;cm^{-1}$ for 1 and 2).

• Journal of the Society of Cosmetic Scientists of Korea
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• v.17 no.1
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• pp.18-28
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• 1991

Spectral behaviors of cationic dye, crystal violet(CV), in aqueous solution and with varying concentrations of Triton X-100(TX-100), sodium dodecylsulfate (SDS) and cetyl trimethyl amonium bromide(CTAB) were studied. The characteristic changes of the absorption spectra observed in the dye-SDS interacting systems with the SDS concentration are analyzed. The behaviors of both a- and J-bands of the each componet dye suggest that the following four sequential steps are occurring : the formation of dye-SDS complex, the stacking of the dye molecules arising from the association of the dye-SDS complex, breaking of the dye stacking due to the formation of micelles, redistribution of the dye molecules in the surface of micelles at high SDS concentration.

• Bulletin of the Korean Chemical Society
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• v.34 no.12
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• pp.3591-3596
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• 2013

The enantioselective aza-Morita Baylis Hillman reaction of nitroalkene and N-tosylimine catalyzed by thiourea-tertiary amine has been investigated using density functional theory. Enantioselectivity is dominated by the cooperative effect of non-covalent and weak covalent interactions imposed by different units of catalyst. As Lewis base, the tertiary amine unit activates nitroalkene via weak covalent bond. The weak covalent interaction orients the reaction in a major path with smaller variations of this bond. The aromatic ring unit activates N-tosylimine via ${\pi}-{\pi}$ stacking. The non-covalent interaction selects the major path with smaller changes of the efficient packing areas. Thiourea unit donates more compact H-bonded network for species of the major path. The calculated ee value in xylene solution phase (97.6%) is much higher than that in N,N-Dimethylformamide (27.2%). Our conclusion is also supported by NBO analysis.

• Proceedings of the IEEK Conference
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• 2006.06a
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• pp.567-568
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• 2006

We investigate the structures and the formation energy of inversion domain boundaries (IDBs) using the Tersoff empirical potential. Four kinds of IDBs ( A and B types for IDB* and Holt ) are considered. The IDBs with A type are energetically favorable compared to B type with the structural instability. The IDB* is also more stable than the Holt type in spite of fourfold and eightfold rings of bonds. We calculate the atomic configurations of the Holt IDBs induced by the interactions of the IDB* with the stacking faults $I_1$ and $I_2$. The stacking fault $I_2$ interacted with $I_1$ on the IDB induces the structural transformation from IDB* to Holt type.