Raman spectroscopy study of ammonia borane at high pressure.
Raman spectroscopy study of ammonia borane at high pressure.
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DOI：
10.1063/1.3040276
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发表时间：
2008-12
期刊：
影响因子：
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通讯作者：
Yu Lin;W. Mao;V. Drozd;Jiuhua Chen;L. Daemen
中科院分区：
文献类型：
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作者：
Yu Lin;W. Mao;V. Drozd;Jiuhua Chen;L. Daemen
氨基硼烷，NH(3)BH(3)，作为一种很有前途的储氢材料，已经引起了人们的极大兴趣。在金刚石顶压室中用拉曼光谱研究了压力对NH(3)BH(3)中成键的影响，在约5和12 GPa时观察到了两个新的转变。NH(3)质子给体的振动频率与常规氢键的振动频率呈负相关，这与传统氢键的行为一致，而BH(3)质子受体的振动频率与压力正相关。观察到的这些伸缩模式的行为支持在高压下存在双氢键。此外，BH(3)和NH(3)弯曲模的光谱复杂性随着压力的增加而增加，dnu/dP的不连续性表明该分子中存在转动无序。这些结果为理解和开发改进的储氢材料提供了指导。
Ammonia borane, NH(3)BH(3), has attracted significant interest as a promising candidate material for hydrogen storage. The effect of pressure on the bonding in NH(3)BH(3) was investigated using Raman spectroscopy to over 20 GPa in a diamond anvil cell, and two new transitions were observed at approximately 5 and 12 GPa. Vibrational frequencies for the modes of the NH(3) proton donor group exhibited negative pressure dependence, which is consistent with the behavior of conventional hydrogen bonds, while the vibrational frequencies of the BH(3) proton acceptor group showed positive pressure dependence. The observed behavior of these stretching modes supports the presence of dihydrogen bonding at high pressure. In addition, the BH(3) and NH(3) bending modes showed an increase in spectral complexity with increasing pressure together with a discontinuity in d nu/d P which suggests rotational disorder in this molecule. These results may provide guidance for understanding and developing improved hydrogen storage materials.