ArticleJACS Au2026
Linking Chemical Structure and Coherence Times of Molecular Spin Qubits.
Article in JACS Au, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
The electron spin is a natural qubit platform whose properties, when embedded in a molecule, can be tuned by synthetic chemistry. However, the quantum properties can be exploited only over a limited time scale, and lengthening the coherence time remains a significant challenge. Nuclear spin diffusion is one of the principal sources of decoherence, but a complete removal of spin-bearing nuclei is hardly feasible in practice, and therefore, strategies to mitigate their impact are essential. Despite considerable efforts to screen the chemical space for improved molecular spin qubits (MSQs) as well as advances in simulation techniques to understand the physical details of the decoherence processes, a broader picture bringing together the chemical and physical views of this phenomenon is still lacking. In this work, we fill this gap by analyzing the decoherence induced by a nuclear spin bath of protons through a parameter space screening approach based on the analytic pair product approximation. As specific cases, we discuss [Cu-(dbm)
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