Vibrational spectra and structure of borohydrides

Vincenza DAnna; Latevi Max Lawson Daku; Hans Hagemann

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Vibrational spectra and structure of borohydrides

机译：硼氢化物的振动光谱和结构

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A comparison of the vibrational spectra of many inorganic borohydrides allows us to distinguish compounds with isolated BH_4~- ions and compounds containing complex ions such as Sc(BH_4)_4~-. The characteristic spectral features of both types of compounds are identified, showing that the B-H bonding is quite different in both cases. A detailed analysis of the vibrations of the isolated BH_4~- ions provides new information about their local structure. Angular deformations of individual borohydride ion are analyzed quantitatively. It appears that the compounds containing isolated BH_4~- ions belong to those with the most electropositive cations and the highest decomposition temperature, while the complex borohydrides show significantly lower decomposition temperatures and possible diborane formation.

机译：通过对许多无机硼氢化物的振动光谱进行比较，我们可以区分具有分离的BH_4〜-离子的化合物和含有复合离子的化合物，例如Sc（BH_4）_4〜-。鉴定了两种化合物的特征光谱特征，表明在两种情况下，B-H键均存在很大差异。对隔离的BH_4〜-离子振动的详细分析提供了有关其局部结构的新信息。定量分析了各个硼氢化物离子的角度变形。看来，含有分离出的BH_4〜-离子的化合物属于具有最大正电阳离子和最高分解温度的化合物，而复杂的硼氢化物则显示出较低的分解温度和可能的乙硼烷形成。

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《Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics》 |2013年第1期|共3页
作者
Vincenza DAnna; Latevi Max Lawson Daku; Hans Hagemann;
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正文语种 eng
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Hydrogen storage; Vibrational spectra; Borohydrides; FG method;

机译：储氢振动光谱硼氢化物FG法;

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Vibrational spectra and structure of borohydrides

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