The coherence time of the 17-electron, mixed sandwich complex [CpTi(cot)], (η8-cyclooctatetraene)(η5-cyclopentadienyl)titanium, reaches 34 μs at 4.5 K in a frozen deuterated toluene solution. This is a remarkable coherence time for a highly protonated molecule. The intramolecular distances between the Ti and H atoms provide a good compromise between instantaneous and spin diffusion sources of decoherence. Ab initio calculations at the molecular and crystal packing levels reveal that the characteristic low-energy ring rotations of the sandwich framework do not yield a too detrimental spin-lattice relaxation because of their small spin–phonon coupling. The volatility of [CpTi(cot)] and the accessibility of the semi-occupied, non-bonding d (Formula presented.) orbital make this neutral compound an ideal candidate for single-qubit addressing on surface and quantum sensing in combination with scanning probe microscopy.
Exploring the Organometallic Route to Molecular Spin Qubits: The [CpTi(cot)] Case
de Camargo L. C.;Briganti M.;Santana F. S.;Stinghen D.;Ribeiro R. R.;Nunes G. G.;Soares J. F.;Salvadori E.;Chiesa M.
;Benci S.;Torre R.;Sorace L.;Totti F.;Sessoli R.
2021-01-01
Abstract
The coherence time of the 17-electron, mixed sandwich complex [CpTi(cot)], (η8-cyclooctatetraene)(η5-cyclopentadienyl)titanium, reaches 34 μs at 4.5 K in a frozen deuterated toluene solution. This is a remarkable coherence time for a highly protonated molecule. The intramolecular distances between the Ti and H atoms provide a good compromise between instantaneous and spin diffusion sources of decoherence. Ab initio calculations at the molecular and crystal packing levels reveal that the characteristic low-energy ring rotations of the sandwich framework do not yield a too detrimental spin-lattice relaxation because of their small spin–phonon coupling. The volatility of [CpTi(cot)] and the accessibility of the semi-occupied, non-bonding d (Formula presented.) orbital make this neutral compound an ideal candidate for single-qubit addressing on surface and quantum sensing in combination with scanning probe microscopy.
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|---|---|---|---|
| CpTiCOT_preprint.pdf Accesso aperto Descrizione: preprint, bozza non sottoposta a valutazionde dei referee Tipo di file:PREPRINT (PRIMA BOZZA) Dimensione868 kB FormatoAdobe PDF | 868 kB | Adobe PDF | Visualizza/Apri |
| anie.202009634.pdf Accesso riservato Tipo di file:PDF EDITORIALE Dimensione1.22 MB FormatoAdobe PDF | 1.22 MB | Adobe PDF | Visualizza/Apri Richiedi una copia |
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