• Bulletin of the Korean Chemical Society
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• v.6 no.4
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• pp.202-206
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• 1985

The crystal structure of The crystal structure of $Ag^+$-Exchanged Zeolite A, $Ag_{4.6}Na_{7.4}-A$, dehydrated, treated with $H_2$, and evacuated, all at $350^{\circ}C$, has been determined by single crystal x-ray diffraction methods in the cubic space group Pm3m at $24(1)^{\circ}C;$ a = $12.208(2)\AA.$ The structure was refined to the final error indices R1 = 0.088 and R2 (weighted) = 0.069 using 194 independent reflections for which II_0$ > $3{\sigma}(I_0)$. On threefold axes near the centers of 6-oxygen rings, $7.4 Na^+$ ions and $0.6 Ag^+$ ions are found. Two non-equivalent 8-ring $Ag^+$ ions are found off the 8-ring planes, each containing about $0.6 Ag^+$ ions. Three non-equivalent Ag atom positions are found in the large cavity, each containing about 0.6 Ag atoms. This crystallographic analysis may be interpreted to indicate that $0.6 (Ag_6)^{3+}$ clusters are present in each large cavity. This cluster may be viewed as a nearly linear trisilver molecule $(Ag_3)^0$ (bond lengths, 2.92 and 2.94 $\AA;$ angle, $153^{\circ})$ stabilized by the coordination of each atom to a Ag^+$ ion at 3.30, 3.33, and 3.43 $\AA$, respectively. In addition, one of the silver atoms approaches all of the 0(1) oxygens of a 4-ring at $2.76\AA.$ Altogether $7.4 Na^+$ ions, $1.8 Ag^+$ ions, and 1.8 Ag atoms are located per unit cell. The remaining $1.0 Ag^+$ ion has been reduced and has migrated out of the zeolite framework to form silver crystallites on the surface of the zeolite single crystal.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.275-275
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• 2006

A series of organoboron polymer electrolytes were prepared and their ion conductive characteristics was investigated in detail. Alkylborane type polymer electrolytes prepared by hydroboration polymerization exhibited improve lithium transference number due to efficient anion trapping of alkylborane unit. A lithium borate type polymer/salt hybrid was also successfully prepared by dehydrocoupling polymerization of lithium mesitylhydrorate. Ionic conductivity of single ion conductive polymer/salt hybrid was further improved in the case of comb like polymer/boron stabilized imido anion hybrid prepared via polymer reaction of poly(organoboron halide) with hexylamine and PEO monomethylether and subsequent neutralization with lithium hydride.

• Proceedings of the KSME Conference
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• 2008.11a
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• pp.1896-1901
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• 2008

Single crystalline copper nanowires are subjected to bending tests using molecular dynamics simulations and the embedded atom method. To observe behaviors of nanowire, bending tests are performed for various rates of deflection and different boundary conditions: fixed-free and fixed-fixed. When the deflection of nanowire becomes large, twinnings and dislocations appear, and <100> crystal structure transforms to <110>. At high rates, phase transformation occurs in whole nanowire. But, at low rates, atomic structure changes to <110> phase partially. The final deformed structures are affected by the rate of deflection and boundary conditions. These effects can be important design parameters at nanoscale.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.32 no.12
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• pp.1047-1054
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• 2008

In this paper, the molecular dynamics (MD) simulations are performed with single-crystal copper blocks under simple shear and simple tension to investigate the effect of size and crystal orientation. There are many variances to give influences such as deformation path, temperature, specimen size and crystal orientation. Among them, the crystal orientation has a primary influence on the volume averaged stress. The numerical results show that the volume averaged shear stress decreases as the specimen size increases and as the crystal orientation changes from single to octal. Furthermore, the Schmid factor and yield stress for crystal orientation are evaluated by using the MD simulation on the standard triangle of stereographic projection.

• Journal of the Korean Magnetic Resonance Society
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• v.8 no.2
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• pp.86-95
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• 2004

A Cu(I) complex with an asymmetric TTF derivative (CET-EDTTTF) is prepared from the slow-diffusion method using CET-EDTTTF and Cu(I)Br solutions and characterized by X-ray crystallography and EPR spectroscopy. Structural analysis shows Cu(I) ions are tetrahedrally coordinated to two bridging bromides, one terminal bromide, and one S atom from CET-EDTTTF. Detailed geometrical and EPR analysis identified that the dimmer molecule contains [Cu$_2Br_4]^{2-}$ anion between two [CET-EDTTTF]$^+$ radical cations. Single-crystal EPR investigation of the complex reveals that the ganisotropy is unusually big, compared to those of the previously reported TTF+ cation radicals, implying that there is significant contribution of the Cu d-orbital to the HOMO of the complex.

• Mass Spectrometry Letters
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• v.14 no.3
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• pp.110-115
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• 2023

The reaction of (COD)PdCl₂ with new C₃-symmetric tridentate L (COD = 1,5-cyclooctadien; L = 1,3,5-tris(picolinoyloxyethyl)cyanurate) in a mixture of acetone and dichloromethane produces single crystals consisting of unprecedented monometallacyclic [PdCl₂(L)]. This cyclic compound arises from trans-chelation of two of three donating pyridyl groups of L, while the third pyridyl group remains uncoordinated. Electrospray ionization mass spectrometry (ESI-MS) data on L exhibited the major peak corresponding to [C₂₇H₂₄N₆O₉ + H⁺]⁺. Fast atom bombardment mass spectrometry (FABMS) data on [PdCl₂(L)], however, showed the mass peak corresponding to the L instead of the present palladium(II) compound species, due to the insolubility and dissociation in solution. The physicochemical properties of the present palladium(II) compound were fully characterized by means of infrared (IR) and nuclear magnetic resonance (NMR) spectroscopy, thermal analysis, single-crystal X-ray diffraction (SC-XRD) measurement.

• Korean Journal of Soil Science and Fertilizer
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• v.7 no.2
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• pp.113-118
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• 1974

A study was carried out to investigate the effect of application time of fertilizer nitrogen on its rate of uptake and its distribution in rice plant. The rate of applied fertilizer was 100kg/ha, as a single application at transplanting time and four equal split applications of 25kg/ha was applied at transplanting time, 3 weeks after transplanting, 1 week before the primodial initiation stage of growth and at the flag leaf stage of growth, respectively. The ammonium sulfate was labelled with N-15, as 1% atom excess for single application and 4.4% atom excess for split applications. The results are sumarized as follows: 1. The effect of split application of nitrogen on yield was observed. The yield of brown rice of the single application at transplanting time was 3.1 ton/ha and the split application was 3.4 ton/ha. However, without nitrogen the yield was reduced to 1.9 ton/ha. 2. The number of grains per panicle and 1000 grains weight were increased as split application of nitrogen, but for the number of panicles per hill and maturing rate, the single application of nitrogen revealed favorable results. 3. The rate of uptake of applied fertilizer nitrogen showed a tendency that the efficiency of fertilizer nitrogen increased by top dressing. The rate of uptake of applied nitrogen as basal application, first top dressing, second top dressing and third top dressing was 28%, 33% 51% and 63%, respectively. 4. After shooting stage of the growth, nitrogen in straws transfered to grains. The nitrogen applied at flag leaf stage was absorbed by root and easily accumulated in grains rather than straw.

• Bulletin of the Korean Chemical Society
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• v.15 no.1
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• pp.79-83
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• 1994

The organometallic chemical vapor deposition of single precursors, $[Me_2Al({\mu}-NHR)]_2\;(R=^iPr,\;^tBu)$, for alumininum nitride thin films has been investigated to evaluate their poroperties as potential precursors. In chemical vapor deposition processes the gas phase products scattered from a Ni(100) substrate were analyzed by mass spectrometry and the deposited films were characterized by X-ray photoelectron spectroscopy (XPS). The optimum temperatures for the formation of AlN films have been found to be between 700 K and 800 K. Carbon contamination of the films seems to be attributed mainly to the methyl groups bonded to the aluminum atoms. It is apparent that $^tBu$ group is better than $^iPr$ group as a substituent on the nitrogen atom of the single precursors for the AlN thin film formation.

• Electronics and Telecommunications Trends
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• v.34 no.5
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• pp.99-112
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• 2019

A quantum light source is an essential element for quantum information technology, including quantum communication, quantum sensor, and quantum computer. Quantum light sources including photon number state, entangled state, and squeezed state can be divided into two types according to the generation mechanism, namely single emitter and non-linear based systems. The single emitter platform contains atom/ion trap, solid-state defect/color center, two-dimensional material, and semiconductor quantum dot, which can emit deterministic photons. The non-linear based platform contains spontaneous parametric down-conversion and spontaneous four-wave mixing, which can emit probabilistic photon pairs. For each platform, we give an overview of the recent research trends of the generation, manipulation, and integration of single photon and entangled photon sources. The characteristics of quantum light sources are investigated for each platform. In addition, we briefly introduce quantum sensing, quantum communication, and quantum computing applications based on quantum light sources. We discuss the challenges and prospects of quantum light sources for quantum information technology.

• Journal of Integrative Natural Science
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• v.8 no.3
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• pp.192-203
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• 2015

In view of the growing medicinal importance of pyrazole and its derivatives, the single crystal X-ray diffraction study was carried out for the potential active 2-Benzyl-3-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4yl]-4,6-dioxo-5-phenyl-octahydro-pyrrolo[3,4-C]pyrrole-1-carboxylic acid ethyl ester ($C_{37}H_{31}BrN_4O_4$, H2O). In the title compound are two molecules exist in the asymmetric unit. It crystallizes in the monoclinic space group $P{\hat{i}}$ with unit cell dimension $a=13.361(18){\AA}$, $b=13.424(17){\AA}$ and $c=21.649(2){\AA}$ [${\alpha}=80.745(9)^{\circ}$, ${\beta}=79.770(10)^{\circ}$ and ${\gamma}=60.788(6)^{\circ}$]. The pyrazole ring adopts planar conformation. The sum of the bond angles at nitrogen atom of the pyrazole ring indicates the $Sp^2$ hybridized state. The crystal structure is stabilized by intramolecular C-H...O hydrogen bond interaction.