• 한국염색가공학회지
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• 제22권2호
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• pp.83-87
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• 2010

Crystal structure of coumarin 6 has been solved by X-ray diffraction. The crystals are triclinic, space group P-1, with a=8.823(2) ${\AA}$, b=8.898(2) ${\AA}$, c=11.025(9) ${\AA}$, ${\alpha}$=86.41(3)$^{\circ}$, ${\beta}$=85.39(3)$^{\circ}$, ${\gamma}$=76.23(3)$^{\circ}$, Mr=350.42, V=837.1(3) ${\AA}^3$, Z=2 and R=0.0516. The molecules are packed parallel to each other by weaker ${\pi}{\cdots}{\pi}$ and C-H${\cdots}{\pi}$ interactions. The detailed geometry of C-H${\cdots}{\pi}$ interactions were discussed. The hydrogen bonds and non-traditional C-H${\cdots}O$ interactions join the no-parallel molecules together. All the molecules packed wall-like with the molecular brick.

• Bulletin of the Korean Chemical Society
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• 제35권4호
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• pp.1177-1181
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• 2014

A 2D grid-like (4, 4)-connected topology coordination polymer, $[Co(BTA)_2(H_2O)_2]_n$ (1), where HBTA = 2-(1H-benzotriazol-1-yl)acetic acid, has been synthesized by hydrothermal method and characterized by single crystal X-ray diffraction, IR spectroscopy, elemental analysis and surface photovoltage spectroscopy (SPS). X-ray diffraction analyses indicated that 1 displays octahedral metal centers with secondary building units (SBUs) [$Co(BTA)_2(H_2O)_2$] bridged by the $BTA^-$ ligands. In the crystal, the 2D supramolecular architecture is further supported by $O-H{\cdots}O$, $O-H{\cdots}N$, $C-H{\cdots}O$ hydrogen bonds and ${\pi}{\cdots}{\pi}$ stacking interactions. The SPS of polymer 1 indicates that there are positive response bands in the range of 300-600 nm showing photo-electric conversion properties. There are good relationships between SPS and UV-Vis spectra.

• Bulletin of the Korean Chemical Society
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• 제34권6호
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• pp.1814-1822
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• 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
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• 제34권6호
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• pp.1913-1916
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• 2013

• Bulletin of the Korean Chemical Society
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• 제35권1호
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• pp.218-224
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• 2014

In order to explore new coordination frameworks with novel designed 3-nitrophthalic acid and the same N-donor ancillary ligand, a series of novel coordination complexes, namely, $[Cd_2(3-NPA)_2(TBZ)_2(H_2O)_2]{\cdot}2H_2O$(1), $[Zn_2(3-NPA)_2(TBZ)_2]$(2), $[Zn_2O(3-NPA)(TBZ)(H_2O)]_n$(3), $[Co(3-NPA)(TBZ)(H_2O)]_n$(4) (3-$NPAH_2$ = 3-nitrophthalic acid), have been hydrothermally synthesized through the reaction of 3-nitrophthalic acid with divalent transition-metal salts in the presence of N-donor ancillary coligand (TBZ = thiabendazole). As a result of various coordination modes of the versatile 3-$NPAH_2$ and the coligand TBZ, these complexes exhibit structural diversity. X-ray structure analysis reveals that 1 and 2 are 0D molecular rings, while 3 and 4 are one-dimensional (1D) infinite chain polymers. And the weak O-H${\cdots}$O hydrogen bonds and C-H${\cdots}$O nonclassical hydrogen bonds as well as ${\pi}-{\pi}$ stacking also play important roles in affecting the final structure where complexes 1, 3 and 4 have 3D supramolecular architectures, while complex 2 has a 2D supramolecular network. Also, IR spectra, fluorescence properties and thermal decomposition process of complexes 1-4 were investigated.

• 대한수학회지
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• 제54권4호
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• pp.1175-1187
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• 2017

The spectral problem $$-y^{{\prime}{\prime}}+q(x)y={\lambda}y,\;0 < x < 1, \atop y(0)cos{\beta}=y^{\prime}(0)sin{\beta},\;0{\leq}{\beta}<{\pi};\;{\frac{y^{\prime}(1)}{y(1)}}=h({\lambda})$$ is considered, where ${\lambda}$ is a spectral parameter, q(x) is real-valued continuous function on [0, 1] and $$h({\lambda})=a{\lambda}+b-\sum\limits_{k=1}^{N}{\frac{b_k}{{\lambda}-c_k}},$$ with the real coefficients and $a{\geq}0$, $b_k$ > 0, $c_1$ < $c_2$ < ${\cdots}$ < $c_N$, $N{\geq}0$. The sharpened asymptotic formulae for eigenvalues and eigenfunctions of above-mentioned spectral problem are obtained and the uniform convergence of the spectral expansions of the continuous functions in terms of eigenfunctions are presented.

• Bulletin of the Korean Chemical Society
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• 제35권12호
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• pp.3590-3594
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• 2014

Blue phosphorescent $(dfpypy)_2Ir(mppy)$, where dfpypy = 2',6'-difluoro-2,3'-bipyridine and mppy = 5-methyl-2-phenylpyridine, has been synthesized by newly developed effective method and its solid state structure and photoluminescent properties are investigated. The glass-transition and decomposition temperature of the compound appear at $160^{\circ}C$ and $360^{\circ}C$, respectively. In a crystal packing structure, there are two kinds of intermolecular interactions such as hydrogen bonding ($C-H{\cdots}F$) and edge-to-face $C-H{\cdots}{\pi}(py)$ interaction. This compound emits bright blue phosphorescence with ${\lambda}_{max}=472nm$ and quantum efficiencies of 0.23 and 0.32 in fluid and the solid state. The emission band of the compound is red-shifted by 40 nm relative to homoleptic congener, $Ir(dfpypy)_3$. The ancillary ligand in $(dfpypy)_2Ir(mppy)$ has been found to significantly destabilize HOMO energy, compared to $Ir(dfpypy)_3$, $(dfpypy)_2Ir(acac)$ and $(dfpypy)_2Ir(dpm)$, without significantly changing LUMO energy.

• Bulletin of the Korean Chemical Society
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• 제31권12호
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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).