Data from: Turbo Grignard-mediated distannylation of ester-functionalized quinoid heterocycles for narrow-bandgap polymer acceptors
Data files
Sep 04, 2026 version files 5.74 MB
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CV-data.tif
147.58 KB
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Document_1.mnova
2.14 MB
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Eloss.tif
295.52 KB
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FTT-C2-.fch
2.67 MB
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giwaxs.tif
242.14 KB
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README.md
1.62 KB
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YP202666943.pdf
242.97 KB
Abstract
Conventional lithiation of ester-substituted quinoid fluorinated thieno[3,4-b]thiophenes (FTT) induces irreversible carbonyl degradation. We report a kinetically controlled i-PrMgCl·LiCl-mediated halogen–magnesium exchange that bypasses this limitation, enabling gram-scale synthesis of pure distannylated monomers. Stille polycondensation affords PY-FTT, a quinoid-enhanced polymer acceptor. All-polymer solar cells utilizing PY-FTT deliver an outstanding 12.4% power conversion efficiency. This mild stannylation protocol provides a robust paradigm for advanced narrow-bandgap conjugated materials.
Dataset Summary
This dataset contains experimental and computational raw data supporting the associated manuscript. It includes MestReNova NMR processed files, highresolution mass spectrometry records, Gaussian computational output, cyclic voltammetry (CV), GIWAXS, and electron energy loss (Eloss) measurement data. All raw data are exported directly from instruments or computational software without extra manual modification.
File Inventory & Description
Document_1.mnova: Processed NMR spectroscopic data file, readable with MestReNova software.YP202666943.pdf: Highresolution mass spectrometry (HRMS) experimental records.FTT-C2-.fch: Gaussian computational output file, can be opened by GaussView for molecular orbital and geometry analysis.CV-data.tif: Cyclic voltammetry (CV) measurement raw data.giwaxs.tif: Grazingincidence wideangle Xray scattering (GIWAXS) raw experimental data.Eloss.tif: Electron energy loss spectroscopy (EELS / Eloss) raw measurement data.
Software & Tools for opening files
.mnova: MestReNova.docx: Microsoft Word / LibreOffice Writer.fch: GaussView, Multiwfn.tif: ImageJ, Origin, general image viewer
Notes
- This dataset is released under CC01.0 public domain waiver.
- For detailed synthetic procedures and measurement parameters, please refer to the original associated research article.
- No manually modified processed figures from the manuscript are included in this dataset.
Experimental raw data including NMR spectra, high‑resolution mass spectrometry (HRMS), cyclic voltammetry (CV), UV‑Vis absorption spectra, and gel permeation chromatography (GPC) were acquired following standard synthetic and characterization protocols described in the associated manuscript. All raw spectral files were exported directly from corresponding instrument software without additional manual modification.
