A five-coordinate [2Fe-2S] cluster.
A unique [2Fe-2S] cluster (1) with genuinely five-coordinate ferric ions has been synthesized and investigated both structurally and spectroscopically. The crystal structure of 1 as well as (1)H NMR data reveal that 2,6-bis(imidazol-2-yl)pyridine binds to the [2Fe-2S] core as a tridentate capping ligand. DFT calculations showing spin density on all coordinating atoms support this finding. Cluster 1 has also been characterized by Mössbauer and UV/vis spectroscopy, mass spectrometry, cyclic voltammetry, and magnetic susceptibility measurements. Significant spectroscopic properties that make 1 distinct from conventional [2Fe-2S] clusters include a rather small quadrupole splitting of 0.43 mm/s.
Institut für Anorganische Chemie, Georg-August-Universität, Tammannstrasse 4, 37077 Göttingen, Germany.
Michael G G
MG
Fuchs
Sebastian
S
Dechert
Serhiy
S
Demeshko
Ulf
U
Ryde
Franc
F
Meyer
D018360:Crystallography, X-Ray; D005290:Ferric Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D007093:Imidazoles / Q000138:chemical synthesis / Q000737:chemistry*; D007501:Iron / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D011199:Potentiometry; D011725:Pyridines / Q000138:chemical synthesis / Q000737:chemistry*; D011789:Quantum Theory; D021241:Spectrometry, Mass, Electrospray Ionization; D013056:Spectrophotometry, Ultraviolet; D015204:Spectroscopy, Mossbauer; D013457:Sulfur Compounds / Q000138:chemical synthesis / Q000737:chemistry*
C500568:2,6-bis(imidazol-2-yl)pyridine; D005290:Ferric Compounds; D007093:Imidazoles; D011725:Pyridines; D013457:Sulfur Compounds; C066318:perferryl iron; D007501:Iron