Journal
DALTON TRANSACTIONS
Volume 50, Issue 10, Pages 3464-3467Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d1dt00590a
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Funding
- EPSRC [EP/K012576/1]
- EPSRC [EP/K012568/1, EP/K012576/1] Funding Source: UKRI
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The temperature of the solution-phase spin-crossover equilibrium in iron(ii) complexes of 4-alkylsulfanyl-2,6-di{pyrazol-1-yl}pyridine (bpp(SR)) complexes is strongly dependent on the alkylsulfanyl substituent, which is determined by the conformation of the alkylsulfanyl groups in the complexes.
The temperature of the solution-phase spin-crossover equilibrium in iron(ii) complexes of 4-alkylsulfanyl-2,6-di{pyrazol-1-yl}pyridine (bpp(SR)) complexes depends strongly on the alkylsulfanyl substituent. DFT calculations imply this reflects the conformation of the alkylsulfanyl groups, which lie perpendicular to the heterocyclic ligand donors in [Fe(bpp(StBu))(2)](2+) but are oriented co-planar with the ligand core for smaller SR substituents.
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