Substituent-controlled photocyclization pathways of 3 H -azepines: insights from TD-DFT and bonding evolution theory

New Journal of Chemistry 2026

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Authors: Cristian Guerra, Leandro Ayarde Henríquez, Patricia Pérez, Eduardo Chamorro, Jorge Soto‐Delgado, Jorge Nader-Bastidas, Yeray A. Rodriguez-Nuñez, Diana B. Ramírez-León, Adolfo E. Ensuncho
DOI: 10.1039/d5nj04602e
Cited by: 1
References: 36

Abstract

The photocyclization of 3 H -azepines exhibits a striking substituent-dependent preference toward the formation of the 2-azabicyclo[3.2.0]hepta-2,6-diene isomer, in agreement with experimental findings, while 6-substituted analogues remain unobserved.

Fields of Study & Subjects

Radical Photochemical Reactions Synthesis and Catalytic Reactions Chemical Reactions and Mechanisms

Publication details

Journal / source
New Journal of Chemistry
Publisher
Royal Society of Chemistry (RSC)
Volume
50
Issue
7
Pages
3332–3340
Publication date
1 January 2026
Language
EN