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

Here we show that the spin coherence of the sandwich complex [CpTi(cot)] survives for tens of ms at low temperature despite the presence of hydrogen atoms. This remarkable result stems from its electronic structure and spin-vibrational properties, here investigated by ab initio calculations and Terahertz spectroscopy. This evaporable molecule with dz2 singly-occupied orbital is a promising candidate to be employed as a highly coherent spin qubit and for single spin addressing. Preformatted version of the manuscript entitled Exploring the Organometallic Route to Molecular Spin Qubits: The [CpTi(cot)] Case, Angew. Chem. Int. Ed. 2021, 60, 2588–2593, which has been published in final form at doi.org/10.1002/anie.202009634