Nickel(II) Metal Complexes as Optically Addressable Qubit Candidates

Wojnar, Michael K.; Laorenza, Daniel W.; Schaller, Richard D.; Freedman, Danna E.

doi:10.1021/jacs.0c06909

Title: Nickel(II) Metal Complexes as Optically Addressable Qubit Candidates

Journal Article · Mon Aug 10 00:00:00 EDT 2020 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.0c06909· OSTI ID:1657169

Wojnar, Michael K. ^[1]; Laorenza, Daniel W. ^[1];

^[2];

^[1]

Northwesern University, Evanston, IL (United States)
Northwesern University, Evanston, IL (United States); Argonne National Laboratory (ANL), Lemont, IL (United States)

The inherent atomic level structural control of synthetic chemistry enables the creation of qubits, the base units of a quantum information science system, designed for a target application. For quantum sensing applications, enabling optical read-out of spin in tunable molecular systems, akin to defect-based systems, would be transformative. This approach would bring together molecular tunability with optical read-out technology. In theory, nickel ions in octahedral symmetry meet all the criteria for optical readout of spin. Yet, to the best of our knowledge, there are no pulse EPR studies on Ni²⁺ molecules. We identified two compounds featuring highly symmetric Ni²⁺ centers, thereby engendering weak zero-field splitting to enable EPR addressability:[Ni(phen)₃](BF₄)₂ (1) and [Ni(pyr₃)₂](BF₄)₂ (2) (phen = 1,10-phenanthroline; pyr₃ = tris-2-pyridyl-methane). Crucially, these complexes feature the requisite strong field ligands to enable emission for optical addressability. We extracted axial zero-field splitting parameters of D = +0.9 cm^–1 and +2.7 cm^–1 for 1 and 2, respectively, enabling pulse EPR measurements. Both compounds produce emission at λ_max = 938–944 nm. Furthermore, the aggregate of these results expands the catalogue of qubit materials to Ni²⁺-based compounds and offers a future pathway for optical readout of these molecules.

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Research Organization:: Northwestern Univ., Evanston, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF); State of Florida; State of Illinois; International Institute for Nanotechnology (IIN)

Grant/Contract Number:: SC0019356; AC02-06CH11357

OSTI ID:: 1657169

Alternate ID(s):: OSTI ID: 1905113

Journal Information:: Journal of the American Chemical Society, Vol. 142, Issue 35; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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CCDC 2025836: Experimental Crystal Structure Determination K., Wojnar, Michael; W., Laorenza, Daniel; D., Schaller, Richard https://doi.org/10.5517/ccdc.csd.cc2601kv The current record is supplemented by this dataset	dataset	January 2020
CCDC 2025835: Experimental Crystal Structure Determination K., Wojnar, Michael; W., Laorenza, Daniel; D., Schaller, Richard https://doi.org/10.5517/ccdc.csd.cc2601jt The current record is supplemented by this dataset	dataset	January 2020

Title: Nickel(II) Metal Complexes as Optically Addressable Qubit Candidates

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