Effects of High Pressure on Azobenzene and Hydrazobenzene Probed by Raman Spectroscopy
Effects of High Pressure on Azobenzene and Hydrazobenzene Probed by Raman Spectroscopy
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DOI：
10.1021/jp207170w
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发表时间：
2011-12-22
影响因子：
3.3
通讯作者：
Song, Yang
中科院分区：
文献类型：
--
作者：
Dong, Zhaohui;Seemann, Natashia M.;Song, Yang
在这项研究中，两个肼衍生物，偶氮苯和氢化偶氮苯，在金刚石压砧室在室温下压缩到28 GPa，然后减压。原位拉曼光谱被用来监测压力引起的结构演变。偶氮苯被发现在类似10 GPa下发生相变。进一步压缩到18 GPa导致分子结构的不可逆破坏。虽然氢化偶氮苯在10 GPa的类似压力下表现出结构转变，但发现它可以维持高达28 GPa的压缩压力而不发生化学反应。氢化偶氮苯的压缩和减压后的过渡序列，因此是完全可逆的压力区域的研究，在强烈的对比，偶氮苯。基于光谱数据对这两种分子的高压结构进行了研究，并借助从头算分子轨道计算对它们截然不同的高压行为进行了分析和解释。
In this study, two hydrazine derivatives, azobenzene and hydrazobenzene, were compressed in a diamond anvil cell at room temperature up to 28 GPa followed by decompression. In situ Raman spectroscopy was employed to monitor the pressure-induced structural evolutions. Azobenzene was found to undergo a phase transition at similar to 10 GPa. Further compression to 18 GPa resulted in an irreversible breakdown of the molecular structure. Although hydrazobenzene exhibited a structural transition at a similar pressure of 10 GPa, it was found to sustain a compression pressure as high as 28 GPa without chemical reactions. The transition sequence of hydrazobenzene upon compression and decompression was thus entirely reversible in the pressure region studied, in strong contrast to that of azobenzene. The high-pressure structures of these two molecules were examined based on the spectroscopic data, and their drastically different high-pressure behaviors were analyzed and interpreted with the aid of ab initio molecular orbital calculations.