• Bulletin of the Korean Chemical Society
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• 제31권7호
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• pp.1881-1886
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• 2010

Hydrothermal reaction of zinc(II) salts with 5-sulfoisophthalic acid monosodium salt ($NaO_3SC_6H_3$-1,3-(COOH)$_2$, $NaH_2$-SIP) and 1,10-phenanthroline (phen) led to two new compounds, [Zn(phen)$_3$$\cdot2H_2SIP\cdot4H_2O$ (1) and [Zn(phen)$_2(H_2O)_2]\cdot2H_2SIP\cdot2H_2O$ (2). They were characterized by element analysis, IR spectroscopy, thermalgravimetric analysis (TGA), X-ray powder diffraction (XRD), and single-crystal X-ray diffraction. Both compounds 1-2 represent the first example of Zn/phen/SIP system. The Zn (II) ion in 1 is six-coordinated by six nitrogen atoms from three phen molecules, and the $H_2SIP^-$ ligands engage in the formation of hydrogen bond. The Zn(II) ion in 2 is coordinated by four nitrogen atoms from two phen molecules and two oxygen atoms from two water molecules. Moreover, both 1 and 2 are assembled into 3D supramolecular architectures by hydrogen bonds (O-H$\ldots$O) and $\pi-\pi$ interactions. Solvent water molecules occupying voids of the compounds serve as receptors or donors of the extensive O-H$\ldots$O hydrogen bonds.

• 한국정보디스플레이학회:학술대회논문집
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• 한국정보디스플레이학회 2004년도 Asia Display / IMID 04
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• pp.515-517
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• 2004

The laser absorption spectroscopy has been used for measuresurement of the xenon atoms in the resonant $1S_4$ and metastable $1S_5$ states in coplanar AC PDP. For the purpose of improving VUV luminous efficiency and optimization of PDP cells, it is important to study behavior of excited Xe atoms in a micro-discharge cell of a coplanar AC-PDP. We measured the xenon excited density of $1S_5$ and $1S_4$ state under mixture gas of Ne-Xe(10%) with gas pressure of 350 Torr and sustaining gap distance of 150 um.

• Bulletin of the Korean Chemical Society
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• 제28권4호
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• pp.635-646
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• 2007

The reaction of gas-phase hydrogen atoms H with H atoms chemisorbed on a graphite surface has been studied by the classical dynamics. The graphite surface is composed of the surface and 10 inner layers at various gas and surface temperatures (Tg, Ts). Three chains in the surface layer and 13 chains through the inner layers are considered to surround the adatom site. Four reaction pathways are found: H2 formation, H-H exchange, H desorption, and H adsorption. At (1500 K, 300 K), the probabilities of H2 formation and H desorption are 0.28 and 0.24, respectively, whereas those of the other two pathways are in the order of 10-2. Half the reaction energy deposits in the vibrational motion of H2, thus leading to a highly excited state. The majority of the H2 formation results from the chemisorption-type H(g)-surface interaction. Vibrational excitation is found to be strong for H2 formed on a cold surface (~10 K), exhibiting a pronounced vibrational population inversion. Over the temperature range (10-100 K, 10 K), the probabilities of H2 formation and H-H exchange vary from 0 to ~0.1, but the other two probabilities are in the order of 10-3.

• 한국결정학회지
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• 제8권1호
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• pp.59-63
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• 1997

화합물내에 존재하는 다음 7가지 수소원자의 이상적인 위치들의 한가지 계산법을 보였다. (1) 3급 C-H, (2) 2급 C-H, (3) 1급 C-H, (4) 방향환 C-H와 N-H, (5) 수산기 O-H, (6) 말단평면내의 2개의 수소 (7) 선형인 X-C-H를 갖는 아세틸렌 C-H.

• Bulletin of the Korean Chemical Society
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• 제25권6호
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• pp.796-800
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• 2004

The structure of [Cu(tpen)]$(ClO_4)_2$ (tpen = N,N,N',N'-tetrakis(2-pyridylmethyl)-1,2-ethanediamine) has been identified by X-ray crystallography. The copper(II) ion is surrounded by two amine N atoms and three pyridine N atoms of the ligand, making a distorted trigonal-bipyramid. Among the six potential N donor atoms (two amine N and four pyridine N atoms), only one pyridine N atom remains uncoordinated. We examined structural changes on addition of $Cl^-$ to $[Cu(tpen)]^{2+}$(1). The addition of $Cl^-$ in methanol resulted in the formation of a novel dinuclear copper(II) complex $[Cu_2Cl_2(tpen)](ClO_4)_2{\cdot}H_2O$. The structure of the dinuclear complex was verified by X-ray crystallography. Each copper(II) ion in the dinuclear complex showed a distorted square planar geometry with two pyridine N atoms, one amine N atom and one $Cl^-$ ion.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제45회 하계 정기학술대회 초록집
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• pp.128.2-128.2
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• 2013

Crucially, effective catalysts must be capable of efficiently catalyzing the protonation of adsorbed CO to adsorbed CHO or COH. One of the strategies is alloying with metals with higher oxygen affinity and Au-Zn alloy is one of the best candidates. At first, we made Au-Zn alloy using vacuum evaporating method. Zn was deposited on the Au(211) surface and the amount was estimated by X-ray photoelectron spectroscopy (XPS) using the relative sensitivity of Au 4f and Zn 3d. We investigated CO adsorption on a clean Au(211) and Au-Zn alloy using temperature-programmed desorption (TPD) and XPS. From the TPD results, we can conclude that the presence of the particular step sites at the Au(211) surface imparts stronger CO bonding and Zn atoms are sitting on the step sites at the Au(211) when Zn is deposited. The XPS results show the oxygen atoms of CO bond Zn atoms on Au-Zn surface. It should be an evidence that alloying Zn atoms that has high oxygen affinity into an electrocatalyst may allow CHO* to bind to the surface through both the carbon and oxygen atoms.

• 한국산학기술학회논문지
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• 제5권6호
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• pp.558-561
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• 2004

암모늄헵타몰리브데이트(ammonium heptamolybdate, AHM)를 전구체로 제조한 실리카 담지 몰리브드늄$(MoO_{3}/SiO_{2})$ 촉매의 구조적 특성을 x-ray 회절기(XRD)를 사용하여 자세히 고찰하였다. 몰리브드늄의 표면담지량은 0.2부터 4.0 atoms $Mo/nm^{2}$로 변화하였으며, 담지촉매의 소성온도는 $300\~500^{\circ}C$로 변화하여 열역학적으로 형성 가능한 모든 몰리브드늄산화물의 구조를 고찰하였다. 담지량이 큰 경우(4 atoms $Mo/nm^{2}$), $300^{\circ}C$소성에서는 뭉쳐있거나 잘 분산된 hexagonal 형태의 결정체가 형성되었으며, $500^{\circ}C$로 소성온도를 증가하면 뭉친 orthorhombic 형태의 $MoO_{3}$ 결정체가 형성되었다. 뭉친 orthorhombic 형태의 결정체는 담지량이 1.1 atom $Mo/nm^{2}$이상이 되면 형성된 반면 잘 분산된 hexagonal 형태의 결정체는 가장 큰 표면 담지량 4.0 atoms $Mo/nm^{2}$에서도 고찰하기가 어려웠다. 이러한 hexagonal 결정체의 담체 표면에서의 높은 분산은 암모니아로 인한 몰리브드늄 산화물($MoO_{3}$)과 실리카($SiO_{2}$) 담체 사이의 강한 표면작용에 기인한 것으로 생각된다.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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• pp.167.1-167.1
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• 2016

The interaction between adsorbed water and hydrogen on metallic surfaces is important for fundamental understanding of heterogeneous catalysis and electrode surface reactions in acidic environment. Here, we explore a long-standing question of whether hydronium ion can exist or not on a Pt surface coadsorbed with atomic hydrogen and water. Studies based on mass spectrometry and infrared spectroscopy show clear evidence that hydrogen atoms are converted into hydrated protons on a Pt(111) surface. The preferential structures of hydrated protons are identified as multiply hydrated $H_5O_2{^+}$ and $H_7O_3{^+}$ species rather than as hydronium ions. The multiply hydrated protons may be regarded as two dimensional zundel ($H_5O_2{^+}$) and Eigen cation ($H_7O_3{^+}$) in water-metal interface. These surface-bound hydrated protons may be key surface intermediates of the electrochemical interconversion between adsorbed hydrogen atoms and solvated protons.

• Bulletin of the Korean Chemical Society
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• 제20권7호
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• pp.809-814
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• 1999

Computations are reported for the very floppy cumulenones H2CnO (n = 3-7). The structures, harmonic frequencies and dipole moments are computed using the DFT and MP2 methods. H2C6O and H2C7O are treated for the first time. The carbon skeletons in ground states of these molecules with smaller number of carbon atoms are found to be bent, but very floppy. Those of the cumulenones with higher number of carbon atoms are predicted to be nearly linear. All the molecules are predicted to be of Cs symmetry by the present results. Good agreement with the available experimental observations is obtained.

• Bulletin of the Korean Chemical Society
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• 제16권3호
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• pp.243-248
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• 1995

Single crystal EPR spectra of K12[As2W18O66Cu3(H2O)2]${\cdot}$11H2O exhibit an orientation-dependent fine structure of an S = 3/2 system which is accounted for by the exchange and magnetic dipole interactions among the three Cu2+ ions. The hyperfine structure and the lines from the S = 1/2 manifolds have not been observed. The isotropic exchange parameters determined from the magnetic susceptibility data at 5-300 K are J1 = J2 =-7.8 cm-1. The magnitude of J values suggests that the unpaired electrons on three Cu2+ ions interact through a sequence of six bonds involving two tungsten atoms and three oxygen atoms. The Cu-Cu distance, 4.37 $\AA$, determined from the EPR spectra is considerably smaller than the value from the X-ray crystal structure determination, 4.76 $\pm$ 0.03 $\AA$, indicating that the point-dipole model underestimates the dipolar interaction.