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Multistate reactivity of weak-field clusters at ambient temperatures

Titto Sunil John, Leslie J. Murray

Revista con revisión por pares

En palabras de los autores

Ambient-temperature reactivity in biological and industrially relevant reactions is typically attributed from the ground state as a sufficiently large energy gap between ground and excited states of reactants renders the thermal Boltzmann population of excited states as a minor perturbation. However, interactions between locally high-spin centers in polynuclear clusters can afford low-lying excited states with appreciable populations at ambient temperature and provide alternate reaction pathways. Consequently, a mechanistic understanding of the reactivity of such clusters presents challenges. In this perspective, we consider advances towards dissecting the effects of such low-lying states on reactivity. Magnetic interactions between locally high-spin centers in polynuclear metal clusters can afford low-lying excited states which are populated at ambient temperature. Here, the authors consider advances towards dissecting the effects of such low-lying states on reactivity.

Resultado principalEl resumen no menciona limitaciones.

Apareció: domingo, 27 de septiembre. Nature Communications. Revista con revisión por pares.

DOI: 10.1038/s41467-026-78033-7