Spin State Chemistry: Modulation of Ligand p<i>K</i><sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex
2018-06-06T00:00:00Z (GMT) by
The iron(II) [2×2] grid complex <b>Fe-8H</b> has been synthesized and characterized. It undergoes spin-crossover (SCO) upon deprotonation of the hydrazine-based terpyridine-like ligand. The deprotonation patterns have been determined by X-ray crystallography and <sup>1</sup>H NMR spectroscopy and discussed in relation to the spin state of the iron(II) centers, which influences greatly the p<i>K</i><sub>a</sub> of the ligand. The synthesis of the magnetically silent zinc(II) analogue is also reported, and its (de)protonation behavior has been characterized to serve as a reference for the study of the Fe<sup>II</sup> grid complexes. DFT computations have also been performed in order to investigate how the successive deprotonation of the bridging ligands affects the SCO behavior within the grid.