Article ID Journal Published Year Pages File Type
5143731 Organic Electronics 2017 24 Pages PDF
Abstract
The results indicate that the HOMO and LUMO distributions of 1 and 2 are similar and the radiative decay rate (kr) of 1 is even greater than that of 2. However, 2 has smaller singlet-triplet energy splitting (ΔEST) and larger spin-orbital coupling (SOC) strength than 1. Besides, 2 has a smaller energy gap between S1/T1 minimum energy crossing point (MECP) and S1 than 1, indicating that it is easy for 2 to realize reverse intersystem crossing (RISC) from T1 to S1. Therefore, the parameters including ΔEST, SOC and MECP between S1 and T1 are fairly important factors determining the TADF characteristic of 2.238
Related Topics
Physical Sciences and Engineering Chemistry Chemistry (General)
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