Li6E5Li6: Tetrel Sandwich Complexes with 10-π-Electrons

merino, gabriel; Tiznado, William

Abstract

When (4n +2) π-electrons are located in single planar ring, it conventionally qualifies as aromatic. According Hückel's rule, systems possessing ten π-electrons should be aromatic. Herein we report a series of D5h Li6E5Li6 sandwich structures, representing the first global minima featuring ten π-electrons E510− ring (E=Si−Pb). However, these π-electrons localize as five π-lone-pairs rather than delocalized orbitals. The high symmetry structure achieved is a direct consequence of σ-aromaticity, particularly favored in elements from Si to Pb, resulting in a pronounced diatropic ring current flow that contributes to the enhanced stability of these systems.

Más información

Título según WOS: Li6E5Li6: Tetrel Sandwich Complexes with 10-π-Electrons
Título según SCOPUS: Li6E5Li6: Tetrel Sandwich Complexes with 10-π-Electrons
Título de la Revista: Angewandte Chemie - International Edition
Volumen: 63
Número: 5
Editorial: Wiley-VCH Verlag
Fecha de publicación: 2024
Idioma: English
DOI:

10.1002/anie.202317848

Notas: ISI, SCOPUS