An argument for abandoning the "allowed" and "forbidden" classification of electrocyclic reactions.

• Tác giả: Barry K Carpenter
• Ngôn ngữ: eng
• Ký hiệu phân loại: 005.434 Process management
• Thông tin xuất bản: England : Chemical science , 2025
• Bộ sưu tập: NCBI
• ID: 238643

Tóm tắt

The division of electrocyclic reactions into "allowed" and "forbidden" classes carries the implication that reactions of the latter class are so energetically penalised that they will occur only if their "allowed" alternatives are rendered effectively impossible. The present work tests that assumption, using NEVPT2 and DFT calculations on a variety of cyclobutene ring openings and (