| 结构参数X的计算方法及与分子总键能和生成焓的关系 |
| A CALCULATION METHOD OF STRUCTURAL PARAMETER X AND RELATIONSHIP BETWEEN X AND TOTAL BOND ENGERGY OR STANDARD MOLAR ENTHALPY OF FORMATION OF AmBn MOLECULES |
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| 摘要: 本文借助于电负性I和有效主量子数ni*定义了有效价电子数Zi′。由Zi′、 n*i及成键电子数mi定义的原子结构参数δi和分子结构参数X被计算。发现AmBn型分子的X |
| 关键词: 结构参数 总键能 标准生成焓 相关性 |
| 基金项目: |
| Abstract: The number of effective valence electron Zi′ is defined by means of electronegativity and effective principal quantum number n*i. The structure parameter δi of the atoms and X of the molecules, which are defined by Zi′, ni and bonded electron number mi, are calculated. It is found that the linear relationships between X and total bond energies of AmBn molecules and between X and ΔfHm are satisfactory. |
| Keywords: structural parameter total bond energy ΔfHm correlativity |
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| 杨锋,王利亚,颜肖慈,罗明道,望天志,屈松生.结构参数X的计算方法及与分子总键能和生成焓的关系[J].无机化学学报,1998,14(2):199-201. |
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