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中文摘要：
在2~100 GPa和12~298 K的温度压力范围内系统地研究了D2O冰Ⅷ以及冰Ⅶ-Ⅷ和Ⅶ-Ⅹ相变的红外吸收光谱特征。我们发现冰Ⅷ的伸缩振动(v1,v3)和转动振动(vR,vR′)的频率及其压力依赖与冰Ⅶ基本一致,但弯曲振动(v2)频率存在明显差异,在6 GPa压力以上时位于约1100 cm-1,较冰Ⅶ低约80 cm-1。在10 GPa压力以下,冰Ⅶ及冰Ⅷ的弯曲振动频率随压力升高而降低,显示出异常的软模行为,可以用结构弛豫来解释。在100 K温度以下,冰Ⅷ在74 GPa相变为非分子相的平动无序冰Ⅹ,该相变以转动振动(vR)向变形振动(vD)的转化为特征。所观察到的冰Ⅶ-Ⅹ相变的红外光谱特征可以用来确定Ⅶ-Ⅹ相变压力。在平动无序冰Ⅹ中,氢原子(H或D)沿氢键束缚O-H(D)···O轴的发生隧道效应,隧道效应使得围绕着一个氧原子可以形成由4个氢原子构成的四面体,从而导致红外活性的变形振动(vD)的产生。
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