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
Sébastien Dhers
Abhishake Mondal
David Aguilà
Juan Ramírez
Sergi Vela
Pierre Dechambenoit
Mathieu Rouzières
Jonathan R. Nitschke
Rodolphe Clérac
Jean-Marie Lehn
10.1021/jacs.8b03735.s008
https://acs.figshare.com/articles/dataset/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/6635648
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.
2018-06-06 00:00:00
1 H NMR spectroscopy
Spin State Switching
p K
Spin State Chemistry
X-ray crystallography
SCO behavior
Ligand p K
deprotonation patterns
Fe II grid complexes
Fe -8H
DFT computations
hydrazine-based terpyridine-like ligand