biostudies-literatureUnknown10(44)Ma JThe reactivity of Bi<i>_n</i>^- clusters (<i>n</i> = 2 to 30) with O₂ is found to display even-odd alternations. The open-shell even-sized Bi<i>_n</i>^- clusters are more reactive than the closed-shell odd-sized clusters, except Bi₁₈^-, which exhibits no observable reactivity toward O₂. We have investigated the structure and bonding of Bi₁₈^- to understand its remarkable resistance to oxidation. We find that the most stable structure of Bi₁₈^- consists of two Bi₈ cages linked by a Bi₂ dimer, where each atom is bonded to three neighboring atoms. Chemical bonding analyses reveal that each Bi uses its three 6<i>p</i> electrons to form three covalenScience advanceseads4724https://www.ebi.ac.uk/biostudies/studies/S-EPMC11524183biostudies-literatureOn the remarkable resistance to oxidation by the Bi&lt;sub&gt;18&lt;/sub&gt;&lt;sup&gt;-&lt;/sup&gt; cluster.PMC11524183Xing XPLi HSchooss DWang LSBumuller DKappes MMLi WLChen TTWeigend FMa JJian TfalseOn the remarkable resistance to oxidation by the Bi&lt;sub&gt;18&lt;/sub&gt;&lt;sup&gt;-&lt;/sup&gt; cluster.The reactivity of Bi<i>_n</i>^- clusters (<i>n</i> = 2 to 30) with O₂ is found to display even-odd alternations. The open-shell even-sized Bi<i>_n</i>^- clusters are more reactive than the closed-shell odd-sized clusters, except Bi₁₈^-, which exhibits no observable reactivity toward O₂. We have investigated the structure and bonding of Bi₁₈^- to understand its remarkable resistance to oxidation. We find that the most stable structure of Bi₁₈^- consists of two Bi₈ cages linked by a Bi₂ dimer, where each atom is bonded to three neighboring atoms. Chemical bonding analyses reveal that each Bi uses its three 6<i>p</i> electrons to form three covalen2024-01-01T00:00:00Z2024 Nov2025-04-04T01:02:25.406Z2025-04-04T01:02:25.406ZS-EPMC115241833947560310.1126/sciadv.ads4724