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The assembly process triggers an electronic reorganization that activates the pristine Fe(II) centers, enabling competitive CO ligation. A thorough synergistic investigation combining in situ photon-in\/photon-out and photon-in\/electron-out methods with density-functional theory simulations is presented. Distinct vibronic fingerprints reveal the complexity of the system, with anharmonic hot-band features associated with CO ligation at Co sites and a red-shifted mode uniquely assigned to CO ligation at Fe sites. Spectroscopic and theoretical results consistently indicate pronounced charge transfer and oxidation-state changes induced by adsorption. The bonding nature is site-specific, with linear CO at Co and tilted coordination at Fe. Quantitative pressure-dependent measurements uncover weak, fully reversible adsorption at room temperature, highlighting dynamic ligand-exchange processes and mild anti-cooperativity driven by indirect long-range, network-mediated interactions.<\/jats:p>","DOI":"10.1021\/acs.jpcc.6c04980","type":"journal-article","created":{"date-parts":[[2026,9,15]],"date-time":"2026-09-15T12:01:54Z","timestamp":1789473714000},"page":"13458-13468","source":"Crossref","is-referenced-by-count":0,"title":["Ligation of Carbon\nMonoxide at Iron and Cobalt Single-Metal-Atom\nSites: Competition for the +1 Oxidation State in a Surface-Confined\nOrganic Network"],"prefix":"10.1021","volume":"130","author":[{"given":"A.","family":"Namar","sequence":"first","affiliation":[{"name":"University of Trieste , , via A. 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