A new, comprehensive insight into the competition between [4+2] and [2+4] cycloaddition schemes and molecular mechanism of the Diels–Alder reaction of 2-nitrofuran with isoprene
Abstract
A comprehensive mechanistic study of the competing [4+2] and [4+2] cycloadditions between 2-nitrofuran and isoprene was performed using molecular electron density theory at the ωB97XD/6-311G(d,p) theory level.
Fields of Study & Subjects
Organic Chemistry Cycloaddition Reactions
Advanced Chemical Physics Studies
Free Radicals and Antioxidants
Publication details
- Journal / source
- New Journal of Chemistry
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 50
- Issue
- 23
- Pages
- 9720–9730
- Publication date
- 1 January 2026
- Language
- EN