Understanding the Electronic Structure of Magnetic Trinuclear Complexes Based on the Tris-Dioxolene Triphenylene Non-Innocent Bridging Ligand, a Theoretical Study.

Suaud, Nicolas; Colin, Aristide; Bouammali, Mohammed; Mallah, Talal; Guihéry, Nathalie

Suaud, Nicolas; Colin, Aristide; Bouammali, Mohammed; Mallah, Talal; Guihéry, Nathalie.

Affiliation

Suaud N; Laboratoire de Chimie et Physique Quantiques (LCPQ), Université de Toulouse, CNRS, 118 route de Narbonne, F-31062, Toulouse, France.
Colin A; Institut de Chimie Moléculaire et des Matériaux d'Orsay, CNRS, Université Paris-Saclay, 17, avenue des Sciences, 91400, Orsay, France.
Bouammali M; Laboratoire de Chimie et Physique Quantiques (LCPQ), Université de Toulouse, CNRS, 118 route de Narbonne, F-31062, Toulouse, France.
Mallah T; Institut de Chimie Moléculaire et des Matériaux d'Orsay, CNRS, Université Paris-Saclay, 17, avenue des Sciences, 91400, Orsay, France.
Guihéry N; Laboratoire de Chimie et Physique Quantiques (LCPQ), Université de Toulouse, CNRS, 118 route de Narbonne, F-31062, Toulouse, France.

Chemistry ; 30(6): e202302256, 2024 Jan 26.

Article in En | MEDLINE | ID: mdl-37922225

Key words

ab initio calculations; exchange coupling; molecular magnetism; non-innocent ligand; tris-dioxolene triphenylene

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Chemistry Journal subject: QUIMICA Year: 2024 Document type: Article Affiliation country: France Country of publication: Germany

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