Principal singlet fission properties of twisted acenes.

Abstract

Acenes, especially tetracene derivatives, are used as singlet fission materials. The recent synthesis of Dodecaphenyl tetracene (showing end-to-end twist angles of 96-98 degrees) and twisted anthracene derivatives show that the synthesis of twisted linear oligoacenes is possible. Energy calculations and NICS-X-scan studies predict the twisted acenes may be better singlet fission materials compared to their planar analogues.