Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effects

Year: 2024

Type: article

Abstract: as the signal detected previously experimentally. By applying Mandado's rules and an array of aromaticity indicators, it is conclusively demonstrated that both the singlet and quintet states exhibit multiple-fold aromaticity, while the triplets exhibit conflicting aromaticity. Furthermore, this investigation highlights the significant impact of relativistic effects, as they enhance the stability of the state relative to its singlet counterpart. These findings shed new light on the electronic structures and properties of these ions, offering valuable insights into their chemical behavior and potential applications.

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/d4cp00484a

Authors: Sílvia Escayola, Elisa Jimenez-Izal, Eduard Matito, Jesus M. Ugalde, Rafael Grande-Aztatzi, Jose M. Mercero

Institutions: Universitat de Girona, Donostia International Physics Center, University of the Basque Country, Ikerbasque, Tecnológico de Monterrey

Language: English

Topic: Synthesis and Properties of Aromatic Compounds

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Funders: Donostia International Physics Center, Eusko Jaurlaritza, Euskal Herriko Unibertsitatea, Ministerio de Ciencia e Innovación, Barcelona Supercomputing Center, European Regional Development Fund, Agencia Estatal de Investigación, European Social Fund

OpenAlex ID: W4393206773