Elucidating the Origins of π-Facial Selectivity in NucleophilicReactions through Quantitative Evaluation of Electronic States

Abstract

Understanding the origins of reactivity and selectivity in chemical reactions is not only academically intriguing but also crucial for controlling reactions. Recently, we proposed a novel method to quantitatively evaluate the stereoelectronic state and rationally explain the facial selectivity in nucleophilic reactions of cyclic ketones [1]. This paper introduces previous studies on chemical reactions and stereoelectronic states, as well as our newly developed method, based on the oral presentation delivered at the 2024 Autumn Annual Meeting of the Society of Computational Chemistry Japan [2].