Electron injection into electrode-supported metal complexes allows for charge redistribution within the molecule to be controlled. Here we show, for the first time, how the structural flexibility in electron-doped porphyrins is critical in defining charge localization by following the evolution of the spin state and charge distribution in the thermodynamically favored structure as a function of dopant dose and relaxation time. Two flexible transition metal-containing molecules are used as model systems, nickel and cobalt tetraphenylporphyrin, studied by combining a wide range of spectroscopic techniques with detailed DFT calculations.

Distortion-driven spin switching in electron-doped metal porphyrins

Cojocariu I.
Membro del Collaboration Group
;
2022-01-01

Abstract

Electron injection into electrode-supported metal complexes allows for charge redistribution within the molecule to be controlled. Here we show, for the first time, how the structural flexibility in electron-doped porphyrins is critical in defining charge localization by following the evolution of the spin state and charge distribution in the thermodynamically favored structure as a function of dopant dose and relaxation time. Two flexible transition metal-containing molecules are used as model systems, nickel and cobalt tetraphenylporphyrin, studied by combining a wide range of spectroscopic techniques with detailed DFT calculations.
2022
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https://pubs.rsc.org/en/content/articlelanding/2022/tc/d2tc01253g
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11368/3067339
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