RT Journal Article
T1 Group 14 heavier 1,4-dimetallabenzenes: Influence of Aromaticity, Open-Shell Character and Strain on Small Molecule Activation
A1 Fernández López, Israel
A1 González-Pinardo, Daniel
AB 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.
PB RSC
YR 2026
FD 2026-02-24
LK https://hdl.handle.net/20.500.14352/133450
UL https://hdl.handle.net/20.500.14352/133450
LA eng
NO 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.
NO Comunidad de Madrid
NO Ministerio de Ciencia, Innovación y Universidades
DS Docta Complutense
RD 2 may 2026