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首页> 外文期刊>Bulletin of the Chemical Society of Japan >Pressure- and Temperature-Induced Phase Transition in 2,4,6-Trichloro-1,3,5-triazine Crystal
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Pressure- and Temperature-Induced Phase Transition in 2,4,6-Trichloro-1,3,5-triazine Crystal

机译:2,4,6-三氯-1,3,5-三嗪晶体中压力和温度诱导的相变

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摘要

The effects of pressure and temperature on the frequencies and band structures of the Raman active inter- and in- tramolecular vibrations of 2,4,6-trichloro-1,3,5-traizine crystal were studied. The changes in the Raman frequency, band width, and band structure of both the inter- and intramolecular vibrations induced by changes of pressure and temperature indicate that (1) a displacive phase transition caused by a shear distortion of #pi#-stacked layer structure may take place under about 1.7 GPa at 298 K and (2) the intermolecular nitrogen-chlorine donor-acceptor attractive interactions sup-porting the extensive network structure in crystal have a direct effect upon the totally symmetric C-Cl stretching vibration.
机译:研究了压力和温度对2,4,6-三氯-1,3,5-traizine晶体的拉曼活性分子间和分子内振动的频率和能带结构的影响。压力和温度变化引起的分子间和分子内振动的拉曼频率,带宽和能带结构的变化表明(1)#pi#堆积层结构的剪切变形引起的位移相变可能在298 K下约1.7 GPa下发生(2)支持晶体中广泛网络结构的分子间氮-氯供体-受体吸引相互作用对完全对称的C-Cl拉伸振动具有直接影响。

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