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Data for: Amplified electron-spin thermal sensitivity in Mn(II) complexes

Campanella, Anthony1; Gin, Amanda1; Sung, Siyoung1; Jackson, Cassidy1; Martinez, Roxanna2; Üngör, Ökten2; Dasari, Srikanth2; Ozarowski, Andrew3; Bhowmick, Indrani1; Zadrozny, Joseph2

Published Jul 08, 2026 on Dryad. https://doi.org/10.5061/dryad.bcc2fqzpj

Data files

Jul 08, 2026 version files 5.17 MB

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Abstract

Understanding the temperature sensitivity of magnetic resonance properties is an essential step toward any application of spin, whether for novel molecular thermometers or quantum sensing platforms. In that light, demonstrations that molecular design is effective at controlling the temperature dependence of zero-field splitting (D), a critical property that governs the electron paramagnetic resonance (EPR) response of open-shell molecules, are vital. Herein we show that ligand design controls the temperature dependence of D. To do so, we prepared and analyzed three different encapsulated Mn(II) complexes. High-field, high-frequency EPR spectroscopy reveal EPR spectra for all complexes that vary in width as a function of temperature, indicating a change in D value. At lower temperatures, these temperature sensitivities change starkly with ligand shell, ranging from 2.2 to 9.8 MHz/K. These results are demonstrate the ability to tune the variable-T nature of D by molecular design, the first such for the Mn(II) metal ion, and exhibit orders of magnitude enhancement over the nitrogen vacancy center of diamond (ca. 74 kHz/K).