Temperature dependence of nonequivalent potential wells for pyridinium ion reorientation in pyridinium tetrachloroiodate(III), PyHICl4, studied by 1H14N nuclear quadrupole double resonance
Temperature dependence of nonequivalent potential wells for pyridinium ion reorientation in pyridinium tetrachloroiodate(III), PyHICl4, studied by 1H14N nuclear quadrupole double resonance
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通过 1H14N 核四极双共振研究四氯碘酸吡啶 (III)、PyHICl4 中吡啶离子重新定向的非等价势阱的温度依赖性
DOI：
10.1002/mrc.2249
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发表时间：
2008
影响因子：
2
通讯作者：
A. Konnai
中科院分区：
文献类型：
--
作者：
J. Seliger;V. Zagar;T. Asaji;A. Konnai
用1H → 14 N核四极双共振（NQDR）研究了吡啶离子在PyHICl 4顺电反铁电相中的重取向.测量了~（14）N核四极共振频率。利用氮原子位置上时均电场梯度（EFG）张量主值的温度变化，确定了吡啶离子在两个晶相中六个取向的占据概率。确定了不同取向之间的能量差。与吡啶离子的重取向的摩尔过渡熵的计算和比较的实验值。版权所有© 2008约翰威利父子有限公司。
The reorientation of a pyridinium ion in the paraelectric and antiferroelectric phase of PyHICl4 is investigated using 1H14N nuclear quadrupole double resonance (NQDR). The 14N nuclear quadrupole resonance frequencies are measured. The temperature variations of the principal values of the time‐averaged electric‐field‐gradient (EFG) tensor at the nitrogen position are used to determine the occupation probabilities of the six orientations of a pyridinium ion in both crystallographic phases. The energy difference between various orientations is determined. The molar transition entropy associated with the reorientation of the pyridinium ions is calculated and compared to the experimental value. Copyright © 2008 John Wiley & Sons, Ltd.