Unraveling the Stereoisomer Configurations of 1,1'-bis(tert-butylphosphino)Ferrocene in the Gas Phase.

ABSTRACT: The molecular structure of a ferrocene derivative with adjacent centers of chirality, 1,1'-bis(tert-butylphosphino)ferrocene, has been examined in the gas phase using broadband microwave spectroscopy under the isolated and cold conditions of a supersonic jet. The diastereomers of 1,1'-bis(tert-butylphosphino)ferrocene can adopt homo- and hetero-chiral configurations, owing to the P-chiral substituents on the cyclopentadienyl rings. Moreover, the internal ring rotation of each diastereomer gives rise to four conformers with eclipsed ring arrangements, where the two tert-butylphosphino groups were separated by dihedral angles of approximately 72°, 144°, 216°, and 288° with respect to the two ring centers. The interconversion barriers between the conformations are below 2 kJ/mol, whereas the

SUBMITTER: Sun W 

PROVIDER: S-EPMC11878755 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature