Premium
Exploring the Organometallic Route to Molecular Spin Qubits: The [CpTi(cot)] Case
Author(s) -
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
Publication year - 2021
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202009634
Subject(s) - chemistry , qubit , scanning tunneling microscope , chemical physics , crystallography , molecular physics , materials science , nanotechnology , quantum , physics , quantum mechanics
The coherence time of the 17‐electron, mixed sandwich complex [CpTi(cot)], (η 8 ‐cyclooctatetraene)(η 5 ‐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 dz2orbital make this neutral compound an ideal candidate for single‐qubit addressing on surface and quantum sensing in combination with scanning probe microscopy.