Spin-Crossover
in a Pseudo-tetrahedral Bis(formazanate)
Iron Complex
Raquel Travieso-Puente
J. O. P. Broekman
Mu-Chieh Chang
Serhiy Demeshko
Franc Meyer
Edwin Otten
10.1021/jacs.6b01552.s004
https://acs.figshare.com/articles/dataset/Spin_Crossover_in_a_Pseudo_tetrahedral_Bis_formazanate_Iron_Complex/3188563
Spin-crossover in
a pseudo-tetrahedral bis(formazanate) iron(II)
complex (<b>1</b>) is described. Structural, magnetic, and spectroscopic
analyses indicate that this compound undergoes thermal switching between
an <i>S</i>=0 and an <i>S</i>=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 <b>1</b> leads to the formation of the corresponding anion, which contains
a low-spin (<i>S</i>=1/2) Fe(I) center. The findings are
rationalized by electronic structure calculations using density functional
theory.
2016-04-14 00:00:00
Fe
spectroscopic analyses
structure calculations
bond