Design Principles for Singlet Fission in Aza-BODIPY Dimers: Spacer-Controlled Electronic Structure and Energy Ordering

Sophiya Goyal, S. Rajagopala Reddy

In this work, we investigate the role of spacers in tuning singlet-fission (SF) activity in aza-BODIPY dimers using a diabatic electronic-structure framework. A series of nine spac…