首页> 外文OA文献 >Temperature dependence of internal torsional frequencies in 3,​4-​dichloronitrobenzene and 4-​chloro-​2-​nitrophenol using NQR data
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Temperature dependence of internal torsional frequencies in 3,​4-​dichloronitrobenzene and 4-​chloro-​2-​nitrophenol using NQR data

机译:NQR数据对3,4-二氯硝基苯和4-氯-2-硝基苯酚内部扭转频率的温度依赖性

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摘要

The temp. variation of the NQR frequency in the two compds. 3,​4-​dichloronitrobenzene and 4-​chloro-​2-​nitrophenol were analyzed in the light of the Kushida and Brown models. The internal torsional frequencies at each temp. was calcd. using Bayer's model with Tatsuzaki correction under a two-​mode approxn. to obtain the temp. variation of the torsional frequencies in both compds. The torsional frequencies are seen to lie between 25 cm-​1 and 85 cm-​1 in the first compd. and between 30 cm-​1 and 42 cm-​1 in the case of the second compd. The temp. dependence of the torsional frequencies is linear above 150 K in the first compd. and is linear throughout the range 77 K to 350 K in the second. The smaller temp. dependence in the second compd. may be the effect of hydrogen bonding in this compd.
机译:温度这两个分量中NQR频率的变化。根据Kushida和Brown模型分析了3,4-二氯硝基苯和4-氯-2-硝基苯酚。每个温度下的内部扭转频率。被计算了。在两模近似下使用带有Tatsuzaki校正的拜耳模型。获得温度两者中的扭转频率的变化。在第一次压缩中,扭转频率在25 cm-1和85 cm-1之间。在第二次压缩的情况下介于30 cm-1和42 cm-1之间。温度在第一次压缩中,扭转频率的依赖性在150 K以上是线性的。并在第二秒内在77 K至350 K的整个范围内呈线性关系。较小的温度在第二个依赖。这可能是氢键的影响。

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