Inostroza, DiegoLeyva-Parra, LuisYañez, OsvaldoCruz, César J.Garza, JorgeGarcía, VíctorThimmakondu, Venkatesan S.Cerón, María LuisaTiznado, William2024-11-272024-11-272022-05-30International Journal of Quantum Chemistry, Vol. 124, N°23 (2024) p. 1-9.1097-461Xhttp://hdl.handle.net/20.500.12254/3926Here we show that substituting the ten protons in the dianion of a bispentalene derivative (C18H102 ) by six Si2+ dications produces a minimum energy structure with two planar tetracoordinate carbons (ptC). In Si6C18, the ptCs are embedded in the terminal C5 pentagonal rings and participate in a three-center, two-electron (3c-2e) SiptC-Si σ-bond. Our exploration of the potential energy surface identifies a triphenylene derivative as the putative global minimum. Nevertheless, robustness to Born–Oppenheimer molecular dynamics (BOMD) simulations at 900 and 1500 K supports bispentalene derivative kinetic stability. Chemical bonding analysis reveals ten delocalized π-bonds, which, according to Hückel's 4n + 2 π-electron rule, would classify it as an aromatic system. Magnetically induced current density analysis reveals the presence of intense local paratropic currents and a weakly global diatropic current, the latter agreeing with the possible global aromatic character of this specie.enAtribución-NoComercial-CompartirIgual 3.0 Chile (CC BY-NC-SA 3.0 CL)Chemical bonding analysisDFT computationsGlobal minimumPlanar tetracoordinate carbonSilicon-carbon clustersArticlehttps://orcid.org/0000-0001-8662-8189https://doi.org/10.1002/qua.270080020-7608