2026-06-29T02:07:37Zhttps://docta.ucm.es/rest/oai/request

oai:docta.ucm.es:20.500.14352/1334502026-02-28T01:08:27Zcom_20.500.14352_14col_20.500.14352_15

Group 14 heavier 1,4-dimetallabenzenes: Influence of Aromaticity, Open-Shell Character and Strain on Small Molecule Activation Fernández López, Israel González-Pinardo, Daniel The influence of the aromaticity, diradical character and strain on the reactivity of Group 14 heavier 1,4-dimetallabenzenes (E = Si, Ge, Sn) has been investigated using quantum-chemical calculations. To this end, the activation reactions of small molecules (dihydrogen and acetylene) promoted by these species have been investigated. It is found that the lighter systems (E = Si and Ge) are significantly more reactive than their 1,4-distannabenzene analogue, despite the latter exhibiting a larger diradical character. According to the Activation Strain Model of reactivity, the reduced reactivity of the heaviest species is directly related to its highly bent, chair-like equilibrium geometry, which must undergo substantial deformation (in comparison with its lighter congeners) to reach the corresponding transition state geometry. 2026-02-27T08:31:06Z 2026-02-27T08:31:06Z 2026-02-27T08:31:06Z 2026-02-24 journal article https://hdl.handle.net/20.500.14352/133450 XXXX-XXXX 0.1039/D6QO00006A eng info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2022-139318NB-I00/ES/ENTENDIENDO LOS FACTORES QUE CONTROLAN LA REACTIVIDAD EN GRUPOS PRINCIPALES/ Cheng, Guo, et al. «An Air-Stable Chiral P,N-Ligand/PdCl2 Partner Enables a Highly Enantioselective Oxidative Homocoupling of Naphthylboronic Acids/Boronates Only in an Oxygen Atmosphere». Organic Chemistry Frontiers, 2026, p. 10.1039.D5QO01752A. DOI.org (Crossref), https://doi.org/10.1039/D5QO01752A. restricted access RSC