Infrared Ion Spectroscopic Characterization of the Gaseous [Co(15-crown-5)(H₂O)]²⁺ Complex.

ABSTRACT: We report fingerprint infrared multiple-photon dissociation spectra of the gaseous monohydrated coordination complex of cobalt(II) and the macrocycle 1,4,7,10,13-pentaoxacyclopentadecane (or 15-crown-5), [Co(15-crown-5)(H₂O)]²⁺. The metal-ligand complexes are generated using electrospray ionization, and their IR action spectra are recorded in a quadrupole ion trap mass spectrometer using the free-electron laser FELIX. The electronic structure and chelation motif are derived from spectral comparison with computed vibrational spectra obtained at the density functional theory level. We focus here on the gas-phase structure, addressing the question of doublet versus quartet spin multiplicity and the chelation geometry. We conclude that the gas-phase complex adopts a quart

SUBMITTER: Munshi MU 

PROVIDER: S-EPMC10476210 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature