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James Scott

@dftheodicy-jscott.bsky.social
75 followers 230 following 3 posts

Computational Chemist/ Chemical Physicist. Currently Postdoc @ Kyoto University Packwood Group.

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James Scott @dftheodicy-jscott.bsky.social · 13/04/2026
408 vibrational modes of the CuSCN-MBTz complex from a recent paper I worked on. The vibrational frequencies are translated to audio, with volume decided by Raman activity, sweeping up from low frequency to high frequency. pubs.acs.org/doi/10.1021/...
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James Scott @dftheodicy-jscott.bsky.social · 13/04/2026
This was fun! The material has a staggeringly large Stokes shift when in solution or thin spin-coated films, but not in bulk crystal phase. I got to calculate the crystal's Raman spectrum and analyze the contribution of intermolecular vibrational modes.
pubs.acs.org
Near-Infrared Luminescence from Transparent Thin Films of Copper(I) Thiocyanate Modified with 2-Mercaptobenzothiazole via Excited-State Symmetry Breaking
Near-infrared (NIR) emission in molecular materials is typically achieved by narrowing the band gap through extended π-conjugation or heavy-atom substitution. Here, we report an unconventional route─e...
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