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Spin State Chemistry: Modulation of Ligand pK(a) by Spin State Switching in a 2x2] Iron(II) Grid-Type Complex

Dhers, Sebastien and Mondal, Abhishake and Aguila, David and Ramirez, Juan and Vela, Sergi and Dechambenoit, Pierre and Rouzieres, Mathieu and Nitschke, Jonathan R and Clerac, Rodolphe and Lehn, Jean-Marie (2018) Spin State Chemistry: Modulation of Ligand pK(a) by Spin State Switching in a 2x2] Iron(II) Grid-Type Complex. In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 140 (26). pp. 8218-8227.

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Official URL: https://dx.doi.org/10.1021/jacs.8b03735

Abstract

The iron(II) 2X2] grid complex Fe-8H 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 H-1 NMR spectroscopy and discussed in relation to the spin state of the iron(II) centers, which influences greatly the pK(a) 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-II 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.

Item Type: Journal Article
Additional Information: Copyright of this article belong to AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Depositing User: Id for Latest eprints
Date Deposited: 31 Jul 2018 15:28
Last Modified: 31 Jul 2018 15:28
URI: http://eprints.iisc.ac.in/id/eprint/60333

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