Abstract
This paper presents a combined IR photo dissociation (IR-PD) spectroscopic and DFT computational study of cold Rhodium cluster N2 adsorbate complexes, [Rhi(N2)m]+ = (i,m), in the ranges of i = 6, …, 15 and m = 1, …, 16. DFT modelling of naked Rhodium clusters Rhi +, i = 6, 7, 9 reveals high spin states (10tet, 13tet, and 17tet) of octahedral structures (i = 6, 7), and a tricapped trigonal prism (i = 9). The IR spectra of single N2 adsorptions red shift in line with the established charge dilution model, and they reveal evidence for structural and/or spin isomers in cases of larger clusters (i,1), i ≥ 12. The IR spectra of cluster adsorbate complexes at or close to N2 saturation indicate strong vibrational couplings and likely isomorphism. Together, the IR-PD and DFT spectra of the [Rh7(N2)12]+ = (7,12) complex reveal spin quenching into a triplet state—as compared to the 13tet state of naked Rh7 +. This study is the starting point for systematic investigations of Rhodium cluster N2 adsorbates and of Rhodium Iron hetero cluster N2 adsorbates, which are work in progress.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
