• Bulletin of the Korean Chemical Society
• /
• v.17 no.5
• /
• pp.447-452
• /
• 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
• /
• v.18 no.11
• /
• pp.1205-1211
• /
• 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.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 2008.11a
• /
• pp.156-156
• /
• 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.

• Journal of Integrative Natural Science
• /
• v.15 no.1
• /
• pp.19-25
• /
• 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.

• Progress in Superconductivity and Cryogenics
• /
• v.21 no.4
• /
• pp.6-8
• /
• 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
• /
• v.14 no.6
• /
• pp.713-717
• /
• 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.

• Journal of the Korean Chemical Society
• /
• v.39 no.6
• /
• pp.446-452
• /
• 1995

Lithium intercalates, $Li_xFeMoO_4Cl$ ($1{\leq}X{\leq}2$) prepared by electrochemical lithiation of $FeMoO_4Cl$ crystallizes in monoclinic structure for all x values as revealed by x-ray diffraction and galvanostatic discharge experiments. According to the x-ray photoelectron spectroscopic study, Fe(III) is at first reduced to Fe(II) upon lithium intercalation with the x domain of $0{\leq}X{\leq}1$, where the crystal symmetry is changed from tetragonal to monoclinic. On the other hand, Mo(VI) is reduced to lower valent state upon further lithium intercalation ($1{\leq}X{\leq}2$), where no crystal symmetry transformation and reduction of Fe(II) to lower valent state are observed. The Mo 3d spectrum for $Li_2FeMoO_4Cl$ appears as a complex shape, but can be deconvoluted into the three sets of the doublet on the basis of Gaussian function, those which correspond to Mo(VI), Mo(V) and Mo(IV) states, respectively. The mixed valent states of molybdenum after further lithiation may be due to a competitive reaction between the formation of Mo(V) and its disproportionation to Mo(IV) and Mo(VI).

• Korean Journal of Crystallography
• /
• v.7 no.2
• /
• pp.105-112
• /
• 1996

The structure of the tetra-tert-butyl-dipropionyloxy-dihydroxycalis[4]arene (C50H64O6) has been determined by X-ray diffraction methods. The crystal is monoclinic, space group C2/c, unit cell constant 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-3. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with a graphite monochromated Cu-Kα radiation (λ=1.5418Å). The structure was solved by direct methods and refined by least-squares methods. The final R value was 0.07 for 2354 observed reflections. The molecule has the 1, 3-alternate conformation with own two-fold symmetry axis, : two propionyloxy phenyl groups are up and the other two hydroxy phenyl groups are down.

• Journal of the Korean Ceramic Society
• /
• v.31 no.2
• /
• pp.155-160
• /
• 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.

• Journal of the Korean Chemical Society
• /
• v.7 no.4
• /
• pp.293-298
• /
• 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.