Isoreferential planes of acidity, basicity, nucleophilicity, electrophilicity. A new graphical representation of double scales and its consequences in terms of selectivity and inversions of ranking in set of acids or bases, nucleophiles or electrophiles

Tetrahedron Computer Methodology Pub Date : 1990-01-01 DOI:10.1016/0898-5529(90)90058-G

M. Arbelot ∗, M. Chanon

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Abstract

An original graphical representation of relationships between acids and bases or between electrophiles and nucleophiles is proposed. It is based on the notion of an isoreferential plane of reactivity. An isoreferential plane of reactivity contains all the quantitative homologous measurements of a set of bases (nucleophiles) toward a given acid (electrophile). Symmetrically, the same representation applies to sets of acids (electrophiles) opposed to a given base (nucleophile). The relative spatial disposition of isoreferential planes associated with different acids (electrophiles) indicates immediately if inversions of ranking in reactivity of bases (nucleophiles) are expected to occur when one passes from one acid (electrophile) to another. A program (DBLSCALE on Disk 18) written in Basic and working on PC computers (IBM and IBM compatibles) allows the direct representation, on the screen, of sets of donors and acceptors, using the parameters derived from Drago's Double Scale approach.

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等参考平面的酸度，碱度，亲核性，亲电性。双标度的一种新的图形表示及其在酸或碱、亲核试剂或亲电试剂的选择性和逆序排序方面的影响

提出了酸和碱之间或亲电试剂和亲核试剂之间关系的原始图形表示。它是基于等参考反应平面的概念。反应性的等参面包含一组碱基(亲核试剂)对给定酸(亲电试剂)的所有定量同源测量。对称地，同样的表示也适用于与给定碱(亲核试剂)相对的酸(亲电试剂)。与不同酸(亲电试剂)相关的等参考平面的相对空间分布立即表明，当一个碱(亲核试剂)从一种酸(亲电试剂)转移到另一种酸(亲电试剂)时，其反应性排序是否会发生反转。用Basic编写的程序(磁盘18上的DBLSCALE)可以在PC计算机(IBM和IBM兼容的计算机)上运行，使用从Drago的双刻度方法派生的参数，可以在屏幕上直接表示供体和受体的集合。

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