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An Infrared Spectroscopic Investigation of Nitric Oxide Binding on Isolated Cobalt Cluster Cations

Year: 2025

Type: article

Abstract: High Resolution Image Download MS PowerPoint Slide Nitric oxide binding to and/or dissociation on isolated cobalt cluster cations, Co n + ( n = 3–14), has been investigated using a combination of infrared multiple photon dissociation spectroscopy and density functional theory. Rich vibrational structure in the 300–800 cm –1 spectral region reflects predominantly dissociative adsorption, though a minor molecularly bound isomer cannot be ruled out. Inert messenger tagging reveals nitrogen and oxygen atoms bound in bridged and/or three-atom sites. The calculated potential energy surface associated with the reaction between NO and Co 3 + confirms only submerged barriers to dissociation and unusual full insertion of the N atom, which binds to all three metal atoms. The second NO adsorbed also dissociates on all clusters studied here, with the smallest cluster, [Co 3 N 2 O 2 ] + -Ar m, adopting an unusual planar cyclic structure with O atoms and an N 2 molecule inserted between adjacent Co atoms.

Source: The Journal of Physical Chemistry A

DOI: 10.1021/acs.jpca.5c02939