Spin-Crossover in a Pseudo-tetrahedral Bis(formazanate) Iron Complex
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https://figshare.com/articles/dataset/Spin_Crossover_in_a_Pseudo_tetrahedral_Bis_formazanate_Iron_Complex/3188551
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资源简介：
Spin-crossover in
a pseudo-tetrahedral bis(formazanate) iron(II)
complex (1) is described. Structural, magnetic, and spectroscopic
analyses indicate that this compound undergoes thermal switching between
an S=0 and an S=2 state, which is
very rare in four-coordinate complexes. The transition to the high-spin
state is accompanied by an increase in Fe–N bond lengths and
a concomitant contraction of intraligand N–N bonds. The latter
suggests that stabilization of the low-spin state is due to the π-acceptor
properties of the ligand. One-electron reduction of 1 leads to the formation of the corresponding anion, which contains
a low-spin (S=1/2) Fe(I) center. The findings are
rationalized by electronic structure calculations using density functional
theory.
创建时间：
2016-04-29
