• Bulletin of the Korean Chemical Society
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• v.28 no.2
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• pp.251-256
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• 2007

The crystal structure of fully dehydrated partially Cs+-exchanged zeolite X, [Cs52Na40Si100Al92O384], a = 24.9765(10) A, has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21 °C. The crystal was prepared by flow method for 5 days using exchange solution in which mole ratio of CsOH and CsNO3 was 1 : 1 with total concentration of 0.05 M. The crystal was then dehydrated at 400 °C and 2 × 10-6 Torr for 2 days. The structure was refined to the final error indices, R1 = 0.051 and wR2 (based on F2) = 0.094 with 247 reflections for which Fo > 4σ (Fo). In this structure, about fifty-two Cs+ ions per unit cell are located at six different crystallographic sites with special selectivity; about one Cs+ ion is located at site I, at the centers of double oxygen-rings (D6Rs), two Cs+ ions are located at site I', and six Cs+ ions are found at site II'. This is contrary to common view that Cs+ ions cannot pass sodalite cavities nor D6Rs because six-ring entrances are too small. Ring-opening by the formation of ?OH groups and ring-flexing make Cs+ ions at sites I, I', and II' enter six-oxygen rings. The defects of zeolite frameworks also give enough mobility to Cs+ ions to enter sodalite cavities and D6Rs. Another six Cs+ ions are found at site II, thirty-six are located at site III, and one is located at site III' in the supercage, respectively. Forty Na+ ions per unit cell are located at two different crystallographic sites; about fourteen are located at site I, the centers of D6Rs and twenty-six are also located at site II in the supercage. Cs+ ions and Na+ ions at site II are recessed ca. 0.34(1) A and 1.91(1) A into the supercage, respectively. In this work, the highest exchange level of Cs+ ions per unit cell was achieved in zeolite X by conventional aqueous solution methods and it was also shown that Cs+ ion could pass through the sixoxygen rings.

• Korean Journal of Crystallography
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• v.16 no.1
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• pp.1-5
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• 2005

The structure of the title compound has been determined by single-crystal X-ray diffraction work. The crystals are orthorhombic, space group $Pna2_1$ with a=11.095(3), b=21.834(7), c=12.574(4) $\AA$, and R1=0.0667. The average carbon bond length in aromaticity In the molecule is 1.386(1) $\AA$ and the average single bond length linking the central benEene ring and peripheral phenyl rings is 1.491(3) $\AA$. The average dihedral angle between the central benzene ring and each of six peripheral phenyl rings is $67.1(1)^{\circ}$ and the average dihedral angle between neighboring two phenyl rings is $55.0(1)^{\circ}$. Thus the molecule adopts a quasi-propeller configuration with approximate six-fold rotation symmetry.

• Bulletin of the Korean Chemical Society
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• v.13 no.4
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• pp.375-381
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• 1992

In this study we have synthesized two spiro orthocarbonates, which can be polymerized with volume expansion, and determined their crystal structures. The crystal data are as follows; 3,4,10,11-Di(9,10-dihydro-9,10-ethanoanthracenyl)- 1,6,8,13-tetraoxa-6.6-tridecane 5: a = 16.898 (1), b = 9.299 (1), c = 24.359 (2) ${\AA}$, $\beta$ = 123.73 $(7)^{\circ}$, space group P21/c and R = 0.073 for 2954 reflections; compound 8: a = 15.244 (4), b = 15.293 (3), c = 10.772 (3) $\AA$, ${\beta}$ = 99.45 $(2)^{\circ}$, space group P21/c and R = 0.082 for 2346 reflections. The seven-membered rings of compound 5 are chair forms and all the six-membered rings are boat shaped. For a six-membered spiro orthocarbonate, 3,9-Di(9-fluorenylidenyl)-1,4,6,9-tetraoxa-5,5-und ecane 8, fluorene groups [C(1) atom through C(13) atom] are planar within ${\pm}0.09{\AA}$ and the six-membered rings have chair conformations. The whole molecule has pseudo-C2 symmetry. The water molecules in the crystal are linked with each other through the hydrogen bond with distance of 2.790 (20) ${\AA}$.

• Journal of Environmental Science International
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• v.15 no.5
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• pp.397-403
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• 2006

Compositional characteristics and origin of polycyclic aromatic hydrocarbons(PAHs), which should be strongly regulated for environmental protection in the crude oils and petroleum products, have been investigated by gas chromatography-mass spectrometry(GC/MS). In the crude oils analyzed, two-rings compound(naphthalene) of PAHs was detected around $72.3\sim93.5%$, but five- or six-rings compound of PAHs was not detected. In the crude oils analyzed, the molecular ratio indices of Phe/Ant(phenanthrene/anthracene)>15, Fla/Pyr(fluoranthene/pyrene)<1, BaA/Chr(benzo (a)anthracene/chrysene)$\leq0.4$ could be effectively applied, and we found that the origin of PAHs was petrogenic sources. Total PAHs concentrations in the crude oils were increased with increasing API gravity and with decreasing sulfur contents of the analyzed crude oils. Five- or six-rings compound of PAHs were not included in ail petroleum products except bunker-C. Furthermore, the molecular ratio indices of Phe/Ant(phenanthrene/anthracene) vs. Fla/Pyr(fluoranthene/pyrene) could be effectively applied as the standard for the PAHs contamination criterion at the other Korean areas.

• Journal of Photoscience
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• v.10 no.1
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• pp.21-35
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• 2003

The photoinitiated intramolecular ylide-olefin addition has been developed as an approach for the construction of one ring and two chiral centers, two rings and three chiral centers or three rings and six chiral centers in a single experimental operation from relatively simple starting materials. These investigations have uncovered several interesting and unusual reactions, which are sensitive to controls such as wavelength, temperature and solvent.

• Macromolecular Research
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• v.13 no.1
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• pp.14-18
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• 2005

Under irradiation in a microwave oven, six novel poly(amide-imide)s containing tetrahydropyrimidinone, tetrahydro-2-thioxopyrimidine moieties and trimellitic rings in their main chains were synthesized through the polycondensation reaction of N,N'-(4,4'-diphenylether)bis(trimellitimide) diacid chloride with six different derivatives of tetrahydropyrimidinone and tetrahydro-2-thioxopyrimidine in the presence of a small amount of a polar organic medium, such as o-cresol. The polycondensation proceeded rapidly and completed within 7-9 min, producing a series of new poly(amide-imide)s in high yield that showed inherent viscosities in the range 0.33-0.52 dL/g. These poly(amide-imide)s were characterized by elemental analysis, viscosity measurement, thermal gravimetric analysis, solubility test, and FT-IR spectroscopy. All of the polymers were soluble at room temperature in polar solvents such as N,N-dimethylacetamide, N,N-dimethylformamide, dimethylsulfoxide, tetrahydrofuran, and N-methyl-2-pyrrolidone.

• Bulletin of the Korean Chemical Society
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• v.21 no.10
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• pp.1044-1046
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• 2000

Catalytic copolymerization of diethyl dipropargylmalonate (DEDPM) and phenylacetylene (PA) by Mo(CO)6 and (toluene) Mo(CO)3/chloranil has resulted in the expected copolymer consiting of a polyene backbone with five-and/or six-membered rings and th e PPA structure. Both complexes exhibited not only varying degree of catalytic activity depending upon the relative mole ratio of two monomers but also characterize the types of coploymers. The former yields the polyene backbone containing only five-membered rings as well as PA while the latter produces the polymers consisting of both five-and six-membered ring structure. Comparative studies show that Mo(CO)6 exhibits reactivity toward DEDPM alone, thus catalyzing initially metathesis cyclopoly-merization of DEDPM followed by copolymerization with PA while the (toluene)Mo(CO)3/chloranil system shows affinity for both PA and DEDPM.

• Communications of the Korean Mathematical Society
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• v.38 no.1
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• pp.69-77
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• 2023

In this article we relate the six Prüfer conditions with the EM conditions. We use the EM-conditions to prove some cases of equivalence of the six Prüfer conditions. We also use the Prüfer conditions to answer some open problems concerning EM-rings.

• Bulletin of the Korean Chemical Society
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• v.16 no.3
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• pp.248-251
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• 1995

The crystal structure of Ba46-X, Ba46Al92Si100O384 [a= 25.297(1) Å], has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd&bar{3}at 21(1) ℃. The crystal was prepared by ion exchange in flowing stream of 0.05 M Ba(OH)2 aqueous solution for 5 days. The crystal was then dehydrated at 380 ℃ and 2 × 10-6 Torr for 2 days. The structure was refined to the final error indices R1= 0.051 and Rw= 0.054 with 369 reflections for which I > 3σ(I). In this structure, all Ba2+ ions are located at the three different crystallographic sites: fourteen Ba2+ ions are located at site Ⅰ, the centers of the double six rings, two Ba2+ ions lie at site Ⅰ', in the sodalite cavity opposite double six rings(D6R's) and another thirty Ba2+ ions are located at site Ⅱ in the supercage. Two Ba2+ ions are recessed ca. 0.27 Å into the sodalite cavity from their three O(3) oxygen plane and thirty Ba2+ ions are recessed ca. 1.11 Å into the supercage from their three O(2) oxygen planes, respectively (Ba(1)-O(3) = 2.76(1) Å, O(3)-Ba(1)-O(3) = 180(0)°, Ba(2)-O(3) = 2.45(1) Å, O(3)-Ba(2)-O(3) = 108(1)°, Ba(3)-O(2)=2.65(1) Å, and O(2)-Ba(3)-O(2)=103.9(4)°).

• Bulletin of the Korean Chemical Society
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• v.27 no.5
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• pp.679-686
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• 2006

The positions of $PbI _2$ molecule synthesized into the molecular-dimensioned cavities of $\mid K_6 (Pb _4I_2)(PbI_2) _{0.67}-(H_2O)_2\mid [Si _{12}Al _{12}O _{48}]$-LTA have been determined. A single crystal of $\mid Pb _6\mid [Si _{12}Al _{12}O _{48}]$-LTA, prepared by the dynamic ion-exchange of $\mid Na _{12}\mid [Si _{12}Al _{12}O _{48}]$-LTA with aqueous 0.05 M $Pb _(NO _3)_2$ and washed with deionized water, was placed in a stream of flowing aqueous 0.05 M KI at 294 K for three days. The resulting crystal structure of the product $( \mid K_6 (Pb _4I_2)(PbI_2) _{0.67}(H_2O)_2\mid [Si _{12}Al _{12}O _{48}]$-LTA, a = 12.353(1) $\AA$) was determined at 294 K by single-crystal X-ray diffraction in the space group Pm3 m. It was refined with all measured reflections to the final error index $R_1$ = 0.062 for 623 reflections which $F_o$ > 4$\sigma$($F_o$). 4.67 $Pb ^{2+}$ and six $K^+$ ions per unit cell are found at three crystallographically distinct positions: 3.67 $Pb ^{2+}$ and three $K^+$ ions on the 3-fold axes opposite six-rings in the large cavity, three $K^+$ ions off the plane of the eight-rings, and the remaining one $Pb ^{2+}$ ion lies opposite four-ring in the large cavity. 0.67 $Pb ^{2+}$ ions and 1.34 $I^-$ ions per unit cell are found in the sodalite units, indicating the formation of a $PbI _2$ molecule in 67% of the sodalite units. Each $PbI _2$ (Pb-I = 3.392(7) $\AA$) is held in place by the coordination of its one $Pb ^{2+}$ ion to the zeolite framework (a $Pb ^{2+}$ cation is 0.74 $\AA$ from a six-ring oxygens) and by the coordination of its two $I^-$ ions to $K^+$ ions through six-rings (I-K = 3.63(4) $\AA$). Two additional $I^-$ ions per unit cell are found opposite a four-ring in the large cavity and form $Pb _2K_2I^{5+}$ and $Pb _2K_2I^{3+}$ moieties, respectively, and two water molecules per unit cell are also found on the 3-fold axes in the large cavity.