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 durn:x-wiley:00448249:media:ange202009634:ange202009634-math-0001 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 / Camargo, Luana C.; Briganti, Matteo; Santana, Francielli S.; Stinghen, Danilo; Ribeiro, Ronny R.; Nunes, Giovana G.; Soares, Jaísa F.; Salvadori, Enrico; Chiesa, Mario; Benci, Stefano; Torre, Renato; Sorace, Lorenzo; Totti, Federico; Sessoli, Roberta. - In: ANGEWANDTE CHEMIE. INTERNATIONAL EDITION. - ISSN 1433-7851. - STAMPA. - 60:(2021), pp. 2588-2593. [10.1002/anie.202009634]

Exploring the Organometallic Route to Molecular Spin Qubits: The [CpTi(cot)] Case

Briganti, Matteo;Benci, Stefano;Torre, Renato;Sorace, Lorenzo;Totti, Federico;Sessoli, Roberta
2021

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 durn:x-wiley:00448249:media:ange202009634:ange202009634-math-0001 orbital make this neutral compound an ideal candidate for single-qubit addressing on surface and quantum sensing in combination with scanning probe microscopy.
2021
60
2588
2593
Camargo, Luana C.; Briganti, Matteo; Santana, Francielli S.; Stinghen, Danilo; Ribeiro, Ronny R.; Nunes, Giovana G.; Soares, Jaísa F.; Salvadori, Enrico; Chiesa, Mario; Benci, Stefano; Torre, Renato; Sorace, Lorenzo; Totti, Federico; Sessoli, Roberta
File in questo prodotto:
File Dimensione Formato  
anie.202009634(1).pdf

Accesso chiuso

Descrizione: Articolo principale
Tipologia: Pdf editoriale (Version of record)
Licenza: DRM non definito
Dimensione 1.22 MB
Formato Adobe PDF
1.22 MB Adobe PDF   Richiedi una copia
CpTicot_main_text_02_05_2020.pdf

accesso aperto

Descrizione: Pre-referaggio
Tipologia: Altro
Licenza: Open Access
Dimensione 1.13 MB
Formato Adobe PDF
1.13 MB Adobe PDF

I documenti in FLORE sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificatore per citare o creare un link a questa risorsa: https://hdl.handle.net/2158/1235500
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 36
  • ???jsp.display-item.citation.isi??? 28
social impact