Singlet fission: the role of molecular packing [Book Chapter]

Other · Fri Sep 27 00:00:00 EDT 2019 · Photochemistry

DOI:https://doi.org/10.1039/9781788016520-00498· OSTI ID:1688399

Buchanan, Eric A. ^[1]; Michl, Josef ^[2]

---

1. Univ. of Colorado, Boulder, CO (United States)
2. Univ. of Colorado, Boulder, CO (United States); Czech Academy of Sciences, Prague (Czech Republic)

The crucial role of molecular packing in singlet fission in dimers, aggregates, and solids is summarized and the key roles of Davydov splitting and the size of the electronic matrix element are pointed out. Here, simple rules and computer algorithms for these effects are described and their shortcomings are listed.

• Research Organization: Univ. of Colorado, Boulder, CO (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; Academy of Sciences of the Czech Republic; Grant Agency of the Czech Republic
• DOE Contract Number: SC0007004; 15-19143S
• OSTI ID: 1688399
• Journal Information: Photochemistry, Vol. 47; Related Information: Chapter in the book titled "Photochemistry: Volume 47" with print ISBN 978-1-78801-554-7; ISSN 1465-1947
• Country of Publication: United States
• Language: English