Infrared Photodissociation Spectroscopic and Theoretical Study of Mass-Selected Heteronuclear Iron-Rhodium and Iron-Iridium Carbonyl Cluster Cations.

ABSTRACT: Heterobimetallic iron-group 9 carbonyl cations, FeM(CO)_n⁺ (M = Rh, Ir; n = 9-11), were generated in the gas phase via pulsed laser vaporization within a supersonic expansion and characterized by infrared photodissociation spectroscopy in the carbonyl stretching region. By combining experimental spectra with density functional theory simulations, the geometric and electronic structures of these clusters were unambiguously assigned. Mass spectrometry and photodissociation results identified FeM(CO)₉⁺ as the saturated species for M = Rh and Ir, in contrast to the lighter cobalt analog FeCo(CO)₈⁺. The FeM(CO)₉⁺ cations adopt a C_4v-symmetric singlet ground-state structure with all ca

SUBMITTER: Hu J 

PROVIDER: S-EPMC12693129 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature