biostudies-literatureUnknown15(40)Duong LVThe stability and electronic structure of B₇Si₃ ^<i>q</i> (<i>q</i> = +, 0, -, 2- and 3-), Li₃B₇Si₃ and Li₃B₁₀H₃ clusters have been investigated through a comprehensive isomer search, with a focus on the perfect triangular planar isomer T⁺ of B₇Si₃ ⁺. Despite its double aromaticity, this form is thermodynamically unstable. Two strategies for the stabilization of the triangular form are proposed: (i) sequential addition of σ electrons and (ii) incorporation of Li atoms to reduce excessive negative charge. The former reveals that the addition of up to four electrons gradually improves its stability, with T^2- being the most favourable isomer RSC advances33844-33853https://www.ebi.ac.uk/biostudies/studies/S-EPMC12441677biostudies-literatureA ternary Li&lt;sub&gt;3&lt;/sub&gt;B&lt;sub&gt;7&lt;/sub&gt;Si&lt;sub&gt;3&lt;/sub&gt; cluster: when reduced electron delocalization enhances thermodynamic stability.PMC12441677Duong LVPham-Tran PAChwastyk MNguyen MTPham-Ho MPfalseA ternary Li&lt;sub&gt;3&lt;/sub&gt;B&lt;sub&gt;7&lt;/sub&gt;Si&lt;sub&gt;3&lt;/sub&gt; cluster: when reduced electron delocalization enhances thermodynamic stability.The stability and electronic structure of B₇Si₃ ^<i>q</i> (<i>q</i> = +, 0, -, 2- and 3-), Li₃B₇Si₃ and Li₃B₁₀H₃ clusters have been investigated through a comprehensive isomer search, with a focus on the perfect triangular planar isomer T⁺ of B₇Si₃ ⁺. Despite its double aromaticity, this form is thermodynamically unstable. Two strategies for the stabilization of the triangular form are proposed: (i) sequential addition of σ electrons and (ii) incorporation of Li atoms to reduce excessive negative charge. The former reveals that the addition of up to four electrons gradually improves its stability, with T^2- being the most favourable isomer 2025-01-01T00:00:00Z2025 Sep2026-06-03T11:27:04.509Z2026-04-27T03:10:35.933ZS-EPMC124416774096952310.1039/d5ra04954g