Predicting valence tautomerism in diverse cobalt-dioxolene complexes: elucidation of the role of ligands and solvent

The ability of molecular switches to reversibly interconvert between different forms promises potential applications at the scale of single molecules up to bulk materials. One type of molecular switch comprises cobalt-dioxolene compounds that exhibit thermally-induced valence tautomerism (VT) interc...

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Veröffentlicht in:	Chemical science (Cambridge) 2024-04, Vol.15 (15), p.5694-571
Hauptverfasser:	Zahir, F. Zahra, Hay, Moya A, Janetzki, Jett T, Gable, Robert W, Goerigk, Lars, Boskovic, Colette
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Cobalt Cobalt compounds Density functional theory Dipole moments Gels Ligands Molecular machines Solvents Transition temperature
Online-Zugang:	Volltext
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