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- W4243727056 abstract "Abstract The influence of ligands on the spin state of a metal ion is of central importance for bioinorganic chemistry, and the production of base‐metal catalysts for synthesis applications. Complexes derived from [Fe(bpp) 2 ] 2+ (bpp=2,6‐di{pyrazol‐1‐yl}pyridine) can be high‐spin, low‐spin, or spin‐crossover (SCO) active depending on the ligand substituents. Plots of the SCO midpoint temperature ( T ) in solution vs. the relevant Hammett parameter show that the low‐spin state of the complex is stabilized by electron‐withdrawing pyridyl (“X”) substituents, but also by electron‐donating pyrazolyl (“Y”) substituents. Moreover, when a subset of complexes with halogeno X or Y substituents is considered, the two sets of compounds instead show identical trends of a small reduction in T for increasing substituent electronegativity. DFT calculations reproduce these disparate trends, which arise from competing influences of pyridyl and pyrazolyl ligand substituents on Fe‐L σ and π bonding." @default.
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- W4243727056 date "2016-03-01" @default.
- W4243727056 modified "2023-10-14" @default.
- W4243727056 title "A Unified Treatment of the Relationship Between Ligand Substituents and Spin State in a Family of Iron(II) Complexes" @default.
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- W4243727056 doi "https://doi.org/10.1002/ange.201600165" @default.
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