Metal-Ligand Covalency Enables Room Temperature Molecular Qubit Candidates

摘要: Harnessing synthetic chemistry to design electronic spin-based qubits, the smallest unit of a quantum information system, enables us probe fundamental questions regarding spin relaxation dynamics. We sought influence metal–ligand covalency on spin–lattice relaxation, which comprises upper limit coherence time. Specifically, we studied impact first coordination sphere through series four molecules featuring V–S, V–Se, Cu–S, and Cu–Se bonds, Ph4P+ salts complexes [V(C6H4S2)3]2− (1), [Cu(C6H4S2)2]2− (2), [V(C6H4Se2)3]2− (3), [Cu(C6H4Se2)2]2− (4). The combined results pulse electron paramagnetic resonance spectroscopy ac magnetic susceptibility studies demonstrate greater M–L covalency, consequently spin-delocalization onto ligand, elongating times. Notably, observe longest times in 2, echos that survive until room temperature both copper (2 4).