Li W Y, Guo Z R, Lien E J
J Pharm Sci. 1984 Apr;73(4):553-8. doi: 10.1002/jps.2600730430.
The relationships between 210 aliphatic group dipole moments (mu) and Taft polar constants (sigma *) are explored, and they are shown to be correlated by a general equation: mu = -a X sigma * -b X n' -c, where a, b, and c are constants. The value n' is a parameter reflecting the attenuating factor due to the number and electronic nature of the interval atoms between the most electronegative atom and the first atom connected to the acetate in the measurement of sigma *. The mu and sigma * values of over 214 aliphatic substituents are compiled for future correlation studies. Comparative examples using sigma * and mu in quantitative structure-activity relationships are presented.
研究了210个脂肪族基团偶极矩（μ）与塔夫脱极性常数（σ*）之间的关系，结果表明它们可由一个通式关联起来：μ = -a×σ* - b×n' - c，其中a、b和c为常数。n'值是一个参数，反映了在测量σ时，由于最具电负性的原子与连接到乙酸酯的第一个原子之间间隔原子的数量和电子性质所导致的衰减因子。汇编了214个以上脂肪族取代基的μ和σ值，以供未来的相关性研究使用。给出了在定量构效关系中使用σ*和μ的对比示例。
