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The electronegativity scale of Allred and Rochow: revisited

机译:再探Allred和Rochow的电负性标度

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A new scale of electronegativity (χ), based on the view that χ is an atomic property and electronegativity is the force exerted by the screened nucleus on an electron at the periphery of an atom, has been designed and framed. The necessary ansatz used was suggested by Allred and Rochow, χ = Force = e 2 (Z eff)/r 2 where e is the electronic charge (esu), Z eff is the effective nuclear charge and r is the absolute (most probable) radius. The electronegativity is calculated in appropriate force unit. We have posited that the absolute (most probable) and not the covalent radii should be the appropriate size descriptor in evaluating electronegativity of atoms. It has been also demonstrated that all previous calculations of electronegativities using Allred and Rochow ansatz suffer from dimension mismatch. We have computed the electronegativities of 103 elements of the periodic table in force (dynes/electron) unit by invoking the electronegativity ansatz of Allred and Rochow, using the absolute radii and effective nuclear charge of Ghosh et al. The new scale of electronegativity satisfies all the sine qua non of a scale of electronegativity.
机译:基于χ是原子性质,而电负性是被屏蔽的原子核在原子外围的电子上施加的力的观点,已经设计并构筑了新的电负性标度(χ)。 Allred和Rochow建议使用必要的ansatz,χ=力= e 2 (Z eff )/ r 2 ,其中e是电荷(esu),Z eff 是有效核电荷,r是绝对(最可能)半径。电负性以适当的力单位计算。我们认为,在评估原子的电负性时,绝对(最可能)而不是共价半径应该是适当的尺寸描述符。还已经证明,所有以前使用Allred和Rochow ansatz进行的电负性计算都存在尺寸失配的问题。我们使用Ghosh等人的绝对半径和有效核电荷,通过调用Allred和Rochow的电负性ansatz,以力(达因/电子)为单位计算了周期表中103个元素的电负性。新的电负性等级可以满足电负性等级的所有必要条件。

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