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An ensemble of interacting molecular systems can help overcome the bottlenecks caused by large energy gaps between intermediate excited states involved in the relaxation process. By employing this strategy, catenanes composed of mechanically interlocked carbon nanostructures show great promise as new materials for achieving higher efficiencies in electronic devices. Herein, we perform nonadiabatic excited state molecular dynamics on different all\u2010benzene catenanes. We observe that catenanes experience faster relaxations than individual units. Coupled catenanes present overlapping energy manifolds that include several electronic excited states spatially localized on the different moieties, increasing the density of states that ultimately improve the efficiency in the energy relaxation. This result suggests the use of catenanes as a viable strategy for tuning the internal conversion rates in a quest for their utilization for new optoelectronic applications.<\/jats:p>","DOI":"10.1002\/jcc.27533","type":"journal-article","created":{"date-parts":[[2024,12,16]],"date-time":"2024-12-16T10:24:12Z","timestamp":1734344652000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Tuning Electronic Relaxation of Nanorings Through Their Interlocking"],"prefix":"10.1002","volume":"46","author":[{"given":"Laura","family":"Alfonso\u2010Hernandez","sequence":"first","affiliation":[{"name":"Departamento de Ciencia y Tecnologia Universidad Nacional de Quilmes\/CONICET  Bernal Argentina"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Victor M.","family":"Freixas","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Physics and Astronomy University of California  Irvine California 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