On the magnetic exchange-vibronic coupling of pancake-bonded organic diradicals
Abstract
Bridge topology tunes 2 J and exchange-vibronic coupling in pancake-bonded Blatter diradicals. SF-TDDFT reproduces NEVPT2 exchange-vibronic gradients where BS-DFT fails, revealing low-frequency modes driving thermal 2 J fluctuations.
Fields of Study & Subjects
Synthesis and Properties of Aromatic Compounds
Magnetism in coordination complexes
Axial and Atropisomeric Chirality Synthesis
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 32
- Pages
- 19628–19644
- Publication date
- 1 January 2026
- Language
- EN