Abstract
Spin–orbit coupling (SOC) in an Fe(II) spin-crossover system, [Fe(2-pic) 3]Cl 2·EtOH, where 2-pic denotes 2-picolylamine, is studied to understand the mechanism of light-induced excited spin state trapping (LIESST). The effects of SOC between the 1 T 1( 1 T 2, 5 E) states and the 3 T 2 state are larger than those between the 1 T 1( 1 T 2, 5 E) states and the 3 T 1 state. This suggests that the 3 T 2 state can play a significant role in the LIESST and reverse-LIESST effects.
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