Exploring the Organometallic Route to Molecular Spin Qubits: The [CpTi(cot)] Case
| Autor: | Luana C de Camargo, Enrico Salvadori, Giovana G. Nunes, Jaísa F. Soares, Lorenzo Sorace, Matteo Briganti, Francielli S. Santana, Ronny R. Ribeiro, Roberta Sessoli, Federico Totti, Stefano Benci, Mario Chiesa, Danilo Stinghen, Renato Torre |
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| Rok vydání: | 2021 |
| Předmět: |
quantum coherencetitanium
Coherence time Materials science 010402 general chemistry 01 natural sciences Molecular physics DFT Catalysis law.invention chemistry.chemical_compound Cyclopentadienyl complex Ab initio quantum chemistry methods law quantum coherence Molecule titanium Electron paramagnetic resonance 010405 organic chemistry General Medicine General Chemistry 0104 chemical sciences Cyclooctatetraene electron paramagnetic resonance metallocene complexes chemistry Intramolecular force Spin diffusion |
| Zdroj: | Angewandte Chemie (Int. ed., Print) 60 (2021): 2588–2593. doi:10.1002/anie.202009634 info:cnr-pdr/source/autori: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./titolo:Exploring the Organometallic Route to Molecular Spin Qubits: The [CpTi(cot)] Case/doi:10.1002%2Fanie.202009634/rivista:Angewandte Chemie (Int. ed., Print)/anno:2021/pagina_da:2588/pagina_a:2593/intervallo_pagine:2588–2593/volume:60 Angewandte Chemie International Edition |
| Popis: | 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 z 2 orbital make this neutral compound an ideal candidate for single-qubit addressing on surface and quantum sensing in combination with scanning probe microscopy. |
| Databáze: | OpenAIRE |
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