遷移金属触媒を用いた8-メチルキノリンの選択的C–H活性化の理論的研究

抄録

C–H activation using transition metal catalysts is one of the hot topics in organic chemistry because of their high catalytic reactivities. In this study, we aim to theoretically reveal the mechanism of deuteration of 8-methylquinoline, which shows regioselectivity depending on metal species and ligands used in the catalysts. This report shows the results of analysis in the step of oxidative addition from a viewpoint of relativistic effects.