Influence of ligand substituent conformation on the spin state of an iron(ii)/di(pyrazol-1-yl)pyridine complex. Issue 10 (4th March 2021)

• Record Type: Journal Article
• Authors: Kulmaczewski, Rafal; Howard, Mark J.; Halcrow, Malcolm A.
• Is Part Of: Dalton transactions. Volume 50:Issue 10(2021)
• Page Start: 3464
• Page End: 3467
• Publication Date: 2021-03-04
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d1dt00590a
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : 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. Abstract : 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 S t Bu )2 ] 2+ but are oriented co-planar with the ligand core for smaller SR substituents.