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Binding Sites, Vibrations and Spin-Lattice Relaxation Times in Europium(II)-Based Metallofullerene Spin Qubits

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Binding Sites, Vibrations and Spin-Lattice Relaxation Times in Europium(II)-Based Metallofullerene Spin Qubits

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dc.contributor.author	Hu, Ziqi
dc.contributor.author	Ullah, Aman
dc.contributor.author	Prima García, Helena
dc.contributor.author	Chin, Sang-Hyun
dc.contributor.author	Wang, Yuanyuan
dc.contributor.author	Aragó, Juan
dc.contributor.author	Shi, Zujin
dc.contributor.author	Gaita Ariño, Alejandro
dc.contributor.author	Coronado Miralles, Eugenio
dc.date.accessioned	2021-10-22T13:52:32Z
dc.date.available	2021-10-22T13:52:32Z
dc.date.issued	2021
dc.identifier.citation	Hu, Ziqi Ullah, Aman Prima García, Helena Chin, Sang-Hyun Wang, Yuanyuan Aragó, Juan Shi, Zujin Gaita Ariño, Alejandro Coronado Miralles, Eugenio 2021 Binding Sites, Vibrations and Spin-Lattice Relaxation Times in Europium(II)-Based Metallofullerene Spin Qubits Chemistry-A European Journal 27 52 13242 13248
dc.identifier.uri	https://hdl.handle.net/10550/80512
dc.description.abstract	To design molecular spin qubits with enhanced quantum coherence, a control of the coupling between the local vibrations and the spin states is crucial, which could be realized in principle by engineering molecular structures via coordination chemistry. To this end, understanding the underlying structural factors that govern the spin relaxation is a central topic. Here, we report the investigation of the spin dynamics in a series of chemically designed europium(II)-based endohedral metallofullerenes (EMFs). By introducing a unique structural difference, i. e. metal-cage binding site, while keeping other molecular parameters constant between different complexes, these manifest the key role of the three low-energy metal-displacing vibrations in mediating the spin-lattice relaxation times (T1). The temperature dependence of T1 can thus be normalized by the frequencies of these low energy vibrations to show an unprecedentedly universal behavior for EMFs in frozen CS2 solution. Our theoretical analysis indicates that this structural difference determines not only the vibrational rigidity but also spin-vibration coupling in these EMF-based qubit candidates.
dc.language.iso	spa
dc.relation.ispartof	Chemistry-A European Journal, 2021, vol. 27, num. 52, p. 13242-13248
dc.subject	Química
dc.subject	Nanotecnologia
dc.title	Binding Sites, Vibrations and Spin-Lattice Relaxation Times in Europium(II)-Based Metallofullerene Spin Qubits
dc.type	journal article	es_ES
dc.date.updated	2021-10-22T13:52:32Z
dc.identifier.doi	10.1002/chem.202101922
dc.identifier.idgrec	148375
dc.rights.accessRights	open access	es_ES