• Bulletin of the Korean Chemical Society
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• 제17권5호
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• pp.447-452
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• 1996

Three conformational isomers of calix[4]arene butanoate were isolated from the reaction of calix[4]arene and butanoyl chloride in the presence of NaH and their structures were determined by NMR spectra as 1,2-alternate 2a, partial cone 2b and 1,3-alternate conformer 2c, respectively. The crystal structure of 2a has been determined by X-ray diffraction method. The crystals are monoclinic, space group C2/c, a=18.435 (4), b=13.774 (2), c=16.941 (3) Å, β=116.23 (1)°, Z=4, V=3858.8 (12)Å3, Dc=1.21 g cm-3, Dm=1.21 g cm-3. The molecule is in the 1,2-alternate conformation. It has two-fold symmetry axis along the line connecting between C (7AA') and C (7BB') parallel to the b axis of crystal lattice.

• Current Applied Physics
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• 제18권11호
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• pp.1205-1211
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• 2018

The frustrated magnet has been regarded as a system that could be a promising host material for the quantum spin liquid (QSL). However, it is difficult to determine the spin configuration and the corresponding mechanism in this system, because of its geometrical frustration (i.e., crystal structure and symmetry). Herein, we systematically investigate one of the geometrically frustrated magnets, the $TbB_4$ compound. Using resonant soft x-ray scattering (RSXS), we explored its spin configuration, as well as Tb's quadrupole. Comprehensive evaluations of the temperature and photon energy/polarization dependences of the RSXS signals reveal the mechanism of spin reorientation upon cooling down, which is the sophisticated interplay between the Tb spin and the crystal symmetry rather than its orbit (quadrupole). Our results and their implications would further shed a light on the search for possible realization of QSL.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2008년도 추계학술대회 논문집 Vol.21
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• pp.156-156
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• 2008

Single crystal of $In_2S_3$ and $In_2S_3:Co^{2+}$ were grown successfully with a good quality by the CTR(Chemical Transport Reaction)method. XRD analysis showed that the grown In2S3 and $In_2S_3:Co^{2+}$ single crystals were cubic structure. The optical absorption spectra of $In_2S_3:Co^{2+}$ single crystal showed impurity absorption peaks due to cobalt impurity. These impurity absorption pesks were assigned to the ligand transition between the split energy levels of $Co^{2+}$ ions with $T_d$ symmetry of these semiconductor host lattice.

• 통합자연과학논문집
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• 제15권1호
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• pp.19-25
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• 2022

The diarylsilyl compound, C₁₄H₁₂Br₄Si, was prepared from the reaction of 3,5-dibromophenyllithium with dimethyldichlorosilane, (CH₃)₂SiCl₂, at -78 ℃, can be a good synthon for derivatization to produce efficient host materials for organic light emitting diodes (OLEDs). Crystal structure analysis shows a slight deviation from ideal tetrahedral symmetry around the Si atom, whose conformation is effective in ensuring the maximum separation of the two phenyl rings and the two methyl substituents. The directions of the two aromatic rings are almost perpendicular to each other. The molecule exists as a monomer in the solid state.

• 한국초전도ㆍ저온공학회논문지
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• 제21권4호
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• pp.6-8
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• 2019

Iron-based superconductors (IBSs) possess nematic phases in which rotational symmetry of the electronic structure is spontaneously broken. This novel phase has attracted much attention as it is believed to be closely linked to the superconductivity. However, observation of the symmetry broken phase by using a macroscopic experimental tool is a hard task because of naturally formed twin domains. Here, we report on a novel detwinning method by using a magnetic field on FeTe single crystal. Detwinning effect was measured by resistivity anisotropy using the Montgomery method. Our results show that FeTe was detwinned at 2T, which is a relatively weak field compared to the previously reported result. Furthermore, detwinning effect is retained even when the field is turned off after field cooling, making it an external stimulation-free detwinning method.

• Bulletin of the Korean Chemical Society
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• 제14권6호
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• pp.713-717
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• 1993

The crystal structure of the potassium salt of penicillin V has been studied by the X-ray crystallographic methods. Crystal data are as follows; potassium 3,3-dimethyl-7-oxo-6-phenoxyacetoamido-4-thia-1- azabicyclo[3.2.0]-heptane-2${\alpha}$-carboxylate, $K^+{\cdot}C_{16}H_{18}N_2O_5S^-$, $M_r$= 388.5, triclinic, Pl, a= 9.371 (1), b= 12.497 (2), c= 15.313 (2) ${\AA},\;{\alpha}= 93.74\;(2),\;{\beta}=99.32\;(1),\;{\gamma}=90.17\;(1)^{\circ},\;V=1765.7\;(2)\;{\AA}^3$, Z=4, $D_m=1.461\;gcm^{-1},\;{\lambda}(Cu\;K{\alpha})=1.5418\;{\AA},\;{\mu}=40.1\;cm^{-1}$, F(000)=808, T=296 K. The structure was solved by the heavy atom and difference Fourier methods with intensity data measured on an automated four-circle diffractometer. The structure was refined by the full-matrix least-squares method to a final R= 0.081 for 3563 observed $[I_0{\geq}2{\sigam}(I_0)]$ reflections. The four independent molecules assume different overall conformations with systematically different orientations of the phenyl groups although the penam moieties have the same closed conformations. There are intramolecular hydrogen bonds between the exocyclic amide nitrogen and phenoxy oxygen atoms. The penam moiety is conformationally very restricted although the carboxyl and exocyclic amide groups apparently have certain rotational degrees of freedom but the phenyl group is flexible about the ether bond despite the presence of the intramolecular N-H${\cdots}$O hydrogen bond. There are complicated pseudo symmetric relationships in the crystal lattice. The penam moieties are related by pseudo 20.5 screw axes and the phenyl groups by pseudo centers of symmetry. The potassium ions, related by both pseudo symmetries, form an infinite zigzag planar chain parallel to the b axis. Each potassium ion is coordinated to seven oxygen atoms in a severely distorted pentagonal bipyramid configuration, forming the infinite hydrophilic channels which in turn form the molecular stacks. Between these stacks, there are only lipophilic interactions involving the phenyl groups.

• 대한화학회지
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• 제39권6호
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• pp.446-452
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• 1995

전기화학적으로 리튬이온을 $FeMoO_4Cl$ 격자내에 층간삽입시킨 $Li_xFeMoO_4Cl$ 화합물은 X-선 회절분석 및 정전류 방전 실험 결과 $1{\leq}X{\leq}2$ 영역에서 단사정계로 결정화되었다. X-선 광전자 분광분석 연구결과, $0{\leq}X{\leq}1$ 영역에서는 리튬이온의 층간삽입시 Fe(III) 이온이 Fe(II) 이온으로 환원되었으며 이때 결정구조는 정방정계에서 단사정계로 전이되었다. 반면, $1{\leq}X{\leq}2$ 영역에서는 Mo(VI) 이온이 낮은 산화상태로 환원되었고, 결정계 전이나 Fe(II) 이온의 환원은 관찰되지 않았다. Mo의 3d X-선 광전자 스펙트럼을 가우스함수를 이용하여 deconvolution한 결과, Mo(VI), Mo(V) 및 Mo(IV)에 해당하는 세 종류의 피크를 분리해 낼 수 있었다. 이와 같이 Mo가 혼합 원자가 상태로 존재하는 이유는 리튬이 층간삽입됨에 따라 생성된 Mo(V)의 일부가 Mo(IV)와 Mo(VI)로 disproportionation되기 때문이다.

• 한국결정학회지
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• 제7권2호
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• pp.105-112
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• 1996

Tetra-tert-butyl-dipropionyloxy-dihydroxycalis[4]arene (C50H64O6)의 구조를 X-선 회절법으로 연구하였다. 결정의 공간군은 C2/c이다. 단위세포 상수는 a=16.067(2), b=26.391(17), c=10.335(1)Å, β=94.26(1)°, Z=4, V=4370.2(29)Å3, Dc=1.16, Dm=1.2 gcm-3이다. 회절반점들의 세기는 Enraf-Nonius CAD-4 Diffractometer로 얻었으며, Cu-Kα radiation (λ=1.5418Å)을 사용하였다. 분자구조는 직접법으로 풀었으며 최소 자승법으로 정밀화하였다. 최종 신뢰도 R값은 2354개의 회절반점에 대하여 0.07이였다. 이 Calix[4]arene은 1, 3-alternate conformation을 가진 분자로 2개의 propionyloxy groups이 위쪽에 있고, 마주보는 두 개의 hydroxy groups이 아래로 향해 있으며, 분자 한 가운데에 결정학적 symmetry axis와 일치하는 2-fold symmetry axis가 있는 분자이다.

• 한국세라믹학회지
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• 제31권2호
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• pp.155-160
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• 1994

PZT ceramics substituted by La3+ and Nd3+ were fabricated according to the formula: [Pb1-x(La or Nd)x][Zr0.58Ti0.42]1-x/4$\square$x/4O3(x=0.00, 0.02, 0.05, 0.08, 0.15, 0.20). The crystal structure and microstructure were investigated by XRD and SEM. It was observed that the phase transitions among rhombohedral, tetragonal, and cubic symmetry occured as the substitutional quantity increased. Dielectric constant, dissipation factor and piezoelectric coefficient (d33), of each sample were measured. The dielectric properties were changed as the substitutional quanity of rare earth ion increased. These changes could be explained by crystal structure and compositional fluctuaction. Its d33 was higher at tetragonal region near to phase boundry between rhombohedral and tetragonal, which was explained by reorientation of domain wall.

• 대한화학회지
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• 제7권4호
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• pp.293-298
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• 1963

The crystal structure of ethylenediamine dihydrochloride has been determined by the two-dimensional Patterson methods and refined by two-dimensional Fourier syntheses. The unit cell dimensions are a = 4.44${\pm}$0.02, b = 6.88${\pm}$0.02, c = 9.97${\pm}$0.02 ${\AA}$, ${\beta}$ = 92${\pm}$$1^{\circ}$. The space group is $P2_1_{/c}$. The carbon and nitrogen atoms in the ethylenediamine itself lie on one plane and its structure has a trans-form with a centre of symmetry in it, and C-C distance of 1.54 ${\AA}$, C-N distance of 1.48${\AA}$ and C-C-N bond angle of $109.07^{\circ}$. The molecules are linked by N-H${\cdots}$Cl hydrogen bonds with distance of 3.14, 3.16 and 3.22 ${\AA}$ forming three dimensional network. The values of reliability factor for F(okl), F(hol) and F(hko) are 0.11, 0.10 and 0.09 respectively.