速報
開始剤ラジカルの極性パラメータの算出
キーワード:
キーワード Radical polymerization,
Initiator radical,
Q-e value,
polarity parameter,
DFT calculation
2024 年 23 巻 1 号 p. 24-26
詳細
2024 年 23 巻 1 号 p. 24-26
This paper describes a method for calculating the intrinsic e parameter of initiator radicals by applying the intrinsic Q-e scheme to the addition reaction between initiator radicals and monomers. Furthermore, DFT calculations show that there is a good relationship between the intrinsic e-value of initiator radicals and their electronegativity and Hammett constant, indicating that the e-value is a suitable parameter to describe the polar effect of initiator radicals.
