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Report No.

A Spin-crossover phenomenon depending on the environment around an iron atom for the assembled coordination polymers

Nakashima, Satoru*; Kaneko, Masashi 

Spin-crossover (SCO) phenomena of the assembled coordination polymers are introduced. When the bridging ligand is flexible like 1,2-bis(4-pyridyl)ethane, 1,3-bis(4-pyridyl)propane, a variety of assembled structure can be obtained, depending on the conformer of the ligand and the guest molecules. Guest-dependent SCO phenomena of the assembled iron complexes are shown. Density functional theory is applied to know the cause of guest-dependent SCO phenomena. The validity of an iron mono-nucleus model is evaluated for the coordination polymers. It is shown that SCO occurs or not depends on the local structure around iron ion.



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