Tunable Cr4+ Molecular Color Centers

The inherent atomistic precision of synthetic chemistry enables bottom-up structural control over quantum bits, or qubits, for quantum technologies. Tuning paramagnetic molecular qubits that feature optical-spin initialization and readout is a crucial step toward designing bespoke qubits for applica...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2021-12, Vol.143 (50), p.21350-21363
Main Authors: Laorenza, Daniel W, Kairalapova, Arailym, Bayliss, Sam L, Goldzak, Tamar, Greene, Samuel M, Weiss, Leah R, Deb, Pratiti, Mintun, Peter J, Collins, Kelsey A, Awschalom, David D, Berkelbach, Timothy C, Freedman, Danna E
Format: Article
Language:English
Subjects:
Electronic structure
Excited states
Group theory
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Ligands
Quantum mechanics
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Summary:The inherent atomistic precision of synthetic chemistry enables bottom-up structural control over quantum bits, or qubits, for quantum technologies. Tuning paramagnetic molecular qubits that feature optical-spin initialization and readout is a crucial step toward designing bespoke qubits for applications in quantum sensing, networking, and computing. Here, we demonstrate that the electronic structure that enables optical-spin initialization and readout for S = 1, Cr­(aryl)4, where aryl = 2,4-dimethylphenyl (1), o-tolyl (2), and 2,3-dimethylphenyl (3), is readily translated into Cr­(alkyl)4 compounds, where alkyl = 2,2,2-triphenylethyl (4), (trimethylsilyl)­methyl (5), and cyclohexyl (6). The small ground state zero field splitting values (
ISSN:0002-7863
1520-5126
DOI:10.1021/jacs.1c10145