Crystal structure elucidation of a geminal and vicinal bis­(tri­fluoro­methane­sulfonate) ester

Pickl, T.; Zuber, J.; Stephan, J.; Pöthig, A.

doi:10.1107/S2053229624005230

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 6
Molecular electrostatic potential (MEP) projected onto the total electron-density surface of (a) methylene (1) and (b) ethylene bis(trifluoromethanesulfonate) (2). Geometries are optimized by DFT-D3 at the PBE0/def2-TZVP level of theory and MEPs are shown at 0.0062 a.u. electron density.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 80| Part 7| July 2024| Pages 278-283

https://doi.org/10.1107/S2053229624005230

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