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首页> 外文期刊>International Journal of Quantum Chemistry >IR-Active phonons and structure elements of isotope-enriched boron carbide
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IR-Active phonons and structure elements of isotope-enriched boron carbide

机译:富含同位素的碳化硼的红外活性声子和结构元素

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摘要

The IR phonon spectra of B-10, B-11, and C-13 isotope-enriched boron carbide with the compositions B4.3C, B6.5C, and B10C are presented. Specific phonons are attributed to the stretching and the bending mode of a small concentration of CCC chains, whose occurrence seems to depend on the specific preparation conditions. Based on the assumption that the electron deficiency is compensated by structural defects, the concentrations of CBC, CBB, CCC, and B squareB arrangements are determined for the whole homogeneity range. Then the concentrations of B-12 and B11C icosahedra result from the compound stoichiometry, The concentration of B squareB arrangements, calculated this way, excellently agrees with the concentration of B(3) vacancies obtained by neutron scattering. (C) 2000 Academic Press. [References: 19]
机译:给出了成分为B4.3C,B6.5C和B10C的富含B-10,B-11和C-13同位素的碳化硼的IR声子光谱。特定的声子归因于少量浓度的CCC链的拉伸和弯曲模式,其出现似乎取决于特定的制备条件。基于电子缺陷由结构缺陷补偿的假设,确定整个同质性范围内CBC,CBB,CCC和B squareB排列的浓度。然后,B-12和B11C二十面体的浓度由化合物的化学计量得出。用这种方法计算出的B squareB排列的浓度与中子散射获得的B(3)空位的浓度非常一致。 (C)2000年学术出版社。 [参考:19]

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