电负性研究Ⅰ.建立元素电负性标度的有效核电荷数方法

电负性研究Ⅰ.建立元素电负性标度的有效核电荷数方法
杨立新
【期刊名称】《结构化学》
【年(卷),期】2001(20)2
【摘要】通过价层电离能、价键轨道能量用有效核电荷数法建立了周期表中90种元素的电负性新标度。

χ＝0.4123，该式表明电负性值与价键轨道能量的绝对值的平方根成正比，所得数值是一套无量纲的相对参数。

元素电负性值随价态的升高与元素非金属性的增强相对应，元素电负性的大小不仅与单个成键电子有关，而且也与参加价键作用的多个电子甚至整个价层都有紧密的联系。

氢的元素电负性值不同于Pauling值、等于1.52。

用16种氢化物中键的额外离子能Δ′对(χA－χB)2作图，两者之间确实具有良好的线性关系。

本方法充分体现了目前公认的三大电负性标度的优点，该标度同时也是价层电子在价键状态下的一种能量标度，是对元素周期律的定量描述和反映。

%Through the ionization energy of the valence shell and the energyof the valence bond orbital, the new scale of the electronegativity of 90 elements in the Periodic Table has been established by the effective nuclear～charge number method. χ＝0.4123, this formula indicates that the electronegativity value is in direct proportion to the square root of the absolute value of the energy of the valence bond orbital, and the values obtained are a set of dimensionless relative parameters. The rising of the elemental electronegativity value with valence state corresponds with the strengthening of elemental non-metallicity. The value of the elemental electronegativity not merely relates to a single
bonding electron, but it has close relation to many an electron that participates in valence bond action or even the whole valence shell, too. The elemental electronegativity value of hydrogen differs from Pauling's value and is equal to 1.52. The (χA－χB)2 value being～ constructed by the Δ′ extra ionic energy of the bond in 16 kinds of hydride, there does be a favorable～ linear relation between both. This method has fully embodied the advantages of the three great electronegativity scales recognized at present. At the same time, this scale is also a kind of energy scale of valence～ shell electrons in valence bond states, and is a quantitative description and reflection of the periodic law of elements.
【总页数】6页(P138-143)
【作者】杨立新
【作者单位】湘潭大学化学化工学院,
【正文语种】中文
【中图分类】O641
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