A theoretical study of spin-orbit coupling in an Fe(II) spin-crossover complex. Mechanism of the LIESST effect

Masakazu Kondo, Kazunari Yoshizawa

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

Spin-orbit coupling (SOC) in an Fe(II) spin-crossover system, [Fe(2-pic)3]Cl2·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 1T1(1T2, 5E) states and the 3T2 state are larger than those between the 1T1(1T2, 5E) states and the 3T1 state. This suggests that the 3T2 state can play a significant role in the LIESST and reverse-LIESST effects.

Original languageEnglish
Pages (from-to)519-523
Number of pages5
JournalChemical Physics Letters
Volume372
Issue number3-4
DOIs
Publication statusPublished - Apr 29 2003

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

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