Li6E5Li6: Tetrel Sandwich Complexes with 10-π-Electrons

Inostroza, Diego; Leyva-Parra, Luis; Pino-Rios, Ricardo; Solar-Encinas, Jose; Vasquez-Espinal, Alejandro; Pan, Sudip; Merino, Gabriel; Yanez, Osvaldo; Tiznado, William

Abstract

When (4n +2) pi-electrons are located in single planar ring, it conventionally qualifies as aromatic. According Huckel's rule, systems possessing ten pi-electrons should be aromatic. Herein we report a series of D-5h Li6E5Li6 sandwich structures, representing the first global minima featuring ten pi-electrons E5(10-) ring (E=Si-Pb). However, these pi-electrons localize as five pi-lone-pairs rather than delocalized orbitals. The high symmetry structure achieved is a direct consequence of sigma-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: ID WOS:001133032100001 Not found in local WOS DB
Título de la Revista: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volumen: 63
Número: 5
Editorial: WILEY-V C H VERLAG GMBH
Fecha de publicación: 2024
DOI:

10.1002/anie.202317848

Notas: ISI