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Probing the Effects of Size and Charge on the Monohydration and Dihydration of SiF ₅ ^– and SiF ₆ ^2– via Comparisons with BF ₄ ^– and PF ₆ ^–

https://doi.org/10.1021/acs.jpca.4c03430

Mosely, Jacquelyn J; Tschumper, Gregory S (July 2024, The Journal of Physical Chemistry A)

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Effects of Proaromaticity on Excited-State Lifetimes and Charge Separation in Near-Infrared Sensitizer Dyes in Solution and on TiO ₂

https://doi.org/10.1021/acs.jpcc.2c06906

Dorris, Austin L.; Watson, Jonathon; Mosely, Jacquelyn J.; Lambert, Ethan C.; Tschumper, Gregory S.; Delcamp, Jared H.; Hammer, Nathan I. (January 2023, The Journal of Physical Chemistry C)

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Correlation of solid-state order to optoelectronic behavior in heterocyclic oligomers

https://doi.org/10.1039/D2CE00560C

Karunathilaka, Dilan; Rajapakse, R. M.; Hardin, April E.; Sexton, Thomas More; Sparks, Nicholas E.; Mosely, Jacquelyn J.; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita L. (June 2022, CrystEngComm)

A longstanding challenge in the field of optoelectronic materials, the effects of solid-state arrangement and morphology are still a prominent factor associated with small-molecule and polymer-based device performance. Here, mixed heterocyclic aromatic oligomers containing thiophene, furan and pyrazine are prepared alongside their methylated congeners. Their solution and solid-phase properties were studied via spectroscopic, electrochemical and single-crystal X-ray diffraction (XRD) analysis. Comparative analysis between solid-state packing arrangements and photophysical properties revealed optical band gaps as low as 1.7 eV with Stokes-shifts up to 130 nm and quantum yields of 12%. Results of the study aid in further understanding the effects of molecular and solid-state arrangements that give rise to unique optical and photophysical properties critical to enhancing optoelectronic behavior.
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