Ligand-field symmetry and magneto-optical correlations in a luminescent Dy( iii ) single-molecule magnet

Dalton Transactions 2026 Open access

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Authors: Senthil Kumar Kuppusamy, Christian Pachl, Zhaoyang Jing, Sagar Paul, Benoît Heinrich, Olaf Fuhr, Svetlana Klyatskaya, Wolfgang Wernsdorfer, Annie K. Powell, Karin Fink, Mario Ruben
DOI: 10.1039/d6dt00081a
Cited by: 3
References: 106

Abstract

state of the Dy(III) facilitates back energy transfer, thereby rendering 1 emissive only at cryogenic temperatures. The predictive accuracy of the complete active space spin-orbit configuration interaction (CASOCI) method is benchmarked against the experimental emission profile. Overall, we propose a strategy to assign effective LF symmetry around Dy(III), establish magneto-optical correlations, and provide a comprehensive analysis of the emission process of 1.

Fields of Study & Subjects

Magnetism in coordination complexes Lanthanide and Transition Metal Complexes Organic Light-Emitting Diodes Research

Publication details

Journal / source
Dalton Transactions
Publisher
Royal Society of Chemistry (RSC)
Volume
55
Issue
14
Pages
5448–5465
Publication date
1 January 2026
Language
EN