Changes in the unoccupied electronic structure of the spin crossover molecule [Co(dpzca)$_{2}$]

ORAL

Abstract

We have investigated the changes in the unoccupied electronic structure of the spin crossover molecule - [Co(dpzca)$_{2}$] using X-ray absorption spectroscopy (XAS) and have compared the results with magnetometry (SQUID) measurements. The studies of the variable temperature of the electronic structure of this cobalt complex with symmetric pyrazine imide ligands, -(2-pyrazylcarbonyl)-2-pyrazinecarboxamide, i.e. [Co(dpzca)$_{2}$], are consistent with density functional theory (DFT). The temperature dependence of the occupancy of the high-spin state and low-spin state molecular orbital states, the unoccupied e$_{g}$/t$_{2g}$ ratio from XAS and high spin state to low spin state ratio from molecular magnetic susceptibility $\chi _{M}$T indicates that the low spin state is not a zero spin state, but simply a lower moment state that would occur below the spin crossover transition of [Co(dpzca)$_{2}$].

Authors

  • Yang Liu

    • Univ of Nebraska - Lincoln
  • Xin Zhang

    • Univ of Nebraska - Lincoln
  • Axel Enders

    • Univ of Nebraska - Lincoln
  • Peter Dowben

    • Univ of Nebraska - Lincoln
  • Jian Luo

    • Univ of Nebraska - Lincoln
  • Jian Zhang

    • Univ of Nebraska - Lincoln
  • Alpha N’Diaye

    • LBNL, Advanced Light Source