基式原子诱导电负性指数的简易计算

Calculation of The Inductive Electronegative Index of Radical Atom

有关基团电负性的研究,曾进行了大量的工作[1].运用电负性指数对物质性能进行定量化研究可避免复杂的计算工作,笔者在前人工作的基础上[2-5],导出一种简易的计算方法.

The inductive electronegative index Xi of the organic covalent groups,A(b1)(……)B(b2)(…)C(b3)(…)D(b4)(…)can be calculated by the following equation.Where XA,Xb et al are the Pauling’s element electronegativity,r is the bond length.And if Xi(B)≥XA,Xi(C)≥XB,Xi(D)≥XC,the sign"+"is used,Xi(B)A,Xi(C)B,Xi(D)C,the sign"-"is used.