• 한국자기공명학회논문지
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• 제17권2호
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• pp.86-91
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• 2013

Detailed information about the structural nature of three-coordinate borons in ${\beta}-BaB_2O_4$ is obtained through $^{11}B$ MAS NMR and $^{11}B$ single-crystal NMR. The three-coordinate $BO_3$ of the two borons B(1) and B(2) in ${\beta}-BaB_2O_4$ were distinguished. The spin-lattice relaxation time in the laboratory frame $T_1$ for B(1) and B(2) slowly decreases with increasing temperature, whereas the spin-lattice relaxation time in the rotating frame $T_{1{\rho}}$ for B(1) and B(2), which differs from $T_1$, is nearly constant. The B(1) and B(2) of the two types were distinguished by $^{11}B$ MAS NMR and $^{11}B$ single-crystal NMR.

• Bulletin of the Korean Chemical Society
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• 제20권10호
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• pp.1205-1208
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• 1999

27Al NMR chemical shielding, quadrupolar coupling, and dipolar coupling interactions for corundum (α-Al2O3) are determined from the single-crystal 27 Al NMR spectra according to the rotation about three orthogonal axis. 27 Al NMR parameters obtained in this work with high accuracy are as follows: δiso = 7.4(4) ppm, QCC = 2.30(4) MHz, h = 0.08(3), and R = 2.0(3) kHz. This work appears to be the first NMR measurement of an aluminum-aluminum dipolar coupling interaction in α-Al2O3 crystals.

• Bulletin of the Korean Chemical Society
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• 제25권4호
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• pp.529-532
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• 2004

Cesium-133 NMR spectra of a single crystal of tetragonal $Cs^+ (15-crown-5)_2I^-$ were obtained as a function of crystal orientation in an applied magnetic field of 9.40T and analyzed to provide the magnitudes and orientations of the $^{133}Cs$ chemical shift and quadrupolar tensors for two magnetically nonequivalent and symmetry related sites. Chemical shift tensor components and parameters of quadrupolar interactions are obtained as ${\delta}_{11}=46(1),\;{\delta}_{22}=60(1),\;{\delta}_{33}=-30(1)$ ppm, quadrupole coupling constant QCC = 581(1) kHz, and asymmetry parameter ${\eta}$ = 0.481(1), respectively. The nonaxially symmetric NMR parameters imply that the local environment of the cesium nuclei is nonaxially symmetric. The DANTE experiment burned holes in the $^{133}Cs$ NMR line of the title compound. The hole burning of the single crystal and powder $^{133}Cs$ NMR lines showed that the NMR lines are not homogeneously broadened.

• 한국자기공명학회논문지
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• 제17권1호
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• pp.19-23
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• 2013

The temperature dependences of the NMR spectrum and the spin-lattice relaxation times in $KH_2PO_4$ were investigated via single-crystal NMR and MAS NMR. The stretched-exponential relaxation that occurred because of the distribution of correlation times was indicative of the degree of the distribution of the double-well potential on the hydrogen bond. The behaviors responsible for the strong temperature dependences of the $^1H$ and $^{31}P$ spin-lattice relaxation times in the rotating frame $T_{1{\rho}}$ in $KH_2PO_4$ are likely related to the reorientational motion of the hydrogen-bond geometry and the $PO_4$ tetrahedral distortion.

• 한국자기학회지
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• 제25권6호
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• pp.185-188
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• 2015

본 연구에서는 FT-NMR 분광기를 사용하여 $NaMgCl_3$ 단결정의 구성 원자인 $^{23}Na$ 원자핵에 대한 핵 자기 공명 실험을 하였다. 이로부터 $^{23}Na$ 원자핵이 모결정 내에서 입방정계 대칭성 내에 존재한다는 것을 알았고, 200 K~410 K 온도 범위에서 $^{23}Na$ 원자핵에 대한 스핀-격자 완화 시간 $T_1$을 온도 변화에 따라 계산하였다. 온도가 증가함에 따라서 $^{23}Na$ 원자핵의 $T_1$ 값이 점차적으로 감소하였다. 스핀-격자 완화율 $1/T_1$ 이 온도 T에 선형적으로 비례하였고, $^{23}Na$ 원자핵의 스핀-격자 완화 메커니즘을 $^{23}Na$ 원자핵 스핀과 단일 포논이 직접적으로 작용하는 직접과정(direct process)으로 설명하였다. 또한 $^{23}Na$ 원자핵의 활성화 에너지를 계산하여 $E_a=4.82J/mol$를 얻었다.

• 한국자기공명학회논문지
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• 제21권2호
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• pp.63-66
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• 2017

The $^{14}N$ NMR spectra for $(NH_4)_2SO_4$ crystals were obtained near the phase transition temperature $T_C=223K$, and were found to precisely reflect the symmetry change in the crystal at this first-order phase transition. Changes in the resonance frequencies near $T_C$ were attributed to the structural phase transition. In the ferroelectric and paraelectric phases, two inequivalent NH4 groups were distinguished in the $^{14}N$ NMR spectra. The two types, $NH_4$(1) and $NH_4$(2), have slightly different local environments. Consequently, we conclude that the phase transition is caused by the change in the environment of the $^{14}N$ nuclei in the $NH_4$ groups, rather than by the $SO_4$ groups.

• 한국자기공명학회논문지
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• 제17권1호
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• pp.24-29
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• 2013

The structural characteristics of 4-coordinate $BO_4$ [B(1)] and 3-coordinate $BO_3$ [B(2)] groups in $BiB_3O_6$ were studied by $^{11}B$ magic angle spinning (MAS) and single-crystal nuclear magnetic resonance (NMR) spectroscopy. The spin-lattice relaxation time in the laboratory frame, $T_1$, for $^{11}B$ decreased slowly with increasing temperature, whereas the spin-lattice relaxation times in the rotating frame, $T_{1{\rho}}$, for B(1) and B(2), which differed from $T_1$, were nearly constant. Further, $T_{1{\rho}}$ for B(1) and B(2) showed very similar trends, although the $T_{1{\rho}}$ value of B(2) was shorter than that of B(1). The 3-coordinate $BO_3$ and 4-coordinate $BO_4$ were distinguished by $^{11}B$ MAS NMR spectrum and $T_{1{\rho}}$.

• 한국자기공명학회논문지
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• 제10권1호
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• pp.1-37
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• 2006

General expressions for solid state NMR lines are described for transitions under static, magic angle spinning, and variable angle spinning conditions in the case where the principal axis system for the anisotropic chemical shift tensor is noncoincident with that of the quadrupole coupling tensor. It is demonstrated that solid state NMR powder pattern simulation program VMAS based on the conventional grid point method of integrating over the Euler angle space is fast enough in comparison with the POWDER simulation package and Gauss-point method.

• Journal of Magnetics
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• 제19권2호
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• pp.116-120
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• 2014

The spin-lattice relaxation time, $T_1$, for $^{69}Ga$, $^{71}Ga$, and $^{75}As$ nuclei in GaAs:$Mn^{2+}$ single crystals was measured as a function of temperature. The values of $T_1$ for $^{69}Ga$, $^{71}Ga$, and $^{75}As$ nuclei were found to decrease with increasing temperature. The $T_1$ values in GaAs:$Mn^{2+}$ crystal are similar to those in pure GaAs crystal. The calculated activation energies for the $^{69}Ga$, $^{71}Ga$, and $^{75}As$ nuclei are 4.34, 4.07, and 3.99 kJ/mol. It turns out that the paramagnetic impurity effect of $Mn^{2+}$ ion doped in GaAs single crystal was not strong on the spin-lattice relaxation time.

• 대한화학회지
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• 제54권6호
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• pp.727-730
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• 2010

245 nm mercury lamp를 사용하여 2,3-dihydropyrrolo[1,2-b]benzisothiazole 5,5-dioxide를 광이성질화 반응시켜서 2,3-dihydro[1]benzothieno[3,2-b]pyrrole 4,4-dioxide를 가지고 있는 tricyclic ring system 화합물을 합성하는 방법을 개발하였다. 합성한 화합물들에 대한 구조는 IR, NMR, MS 및 single crystal X-ray crystallography를 이용하여 결정하였다.