6533b81ffe1ef96bd1278f00

RESEARCH PRODUCT

Structure and fluxional behaviour of heptaleneirontricarbonyl and heptalenebis (Irontricarbonyl)

Klaus MüllenEmanuel VogelJohann LexNeil T. AllisonHans Schmickler

subject

chemistry.chemical_classificationBicyclic moleculeStereochemistryOrganic ChemistryCrystal structureNuclear magnetic resonance spectroscopyBiochemistrychemistry.chemical_compoundchemistryComputational chemistryDrug DiscoveryX-ray crystallographyHeptaleneChemical solutionMoleculeInorganic compound

description

Abstract The synthesis of heptaleneirontricarbonyl ( 4 ) is described. The structures of 4 and of the closely related heptalenebis(irontricarbonyl) ( 3 ) are elucidated by NMR spectroscopy ( 1H and 13C) and by X-ray crystallography. Compounds 3 and 4 are shown by dynamic NMR to undergo an isodynamic 1 ,2-migration of the Fe(CO3)-groups as well as a carbonyl scrambling. The relevant kinetic data allow for a mechanistic discussion of the dynamics and a comparison with other irontricarbonyl complexes.

https://doi.org/10.1016/s0040-4020(01)90290-x