Crystal_structure_miningInteresting ChemistryChemical BondingSigma BondStereoelectronic EffectChemical Sciences

Stereoelectronic effects galore: bis(trifluoromethyl)trioxide.

https://doi.org/10.59350/tfsn0-tys30
Published in Henry Rzepa's Blog

Here is a little molecule that can be said to be pretty electron rich. There are lots of lone pairs present, and not a few electron-deficient σ-bonds. I thought it might be fun to look at the stereoelectronic interactions set up in this little system.

References

Materials ChemistryInorganic ChemistryOrganic ChemistryPhysical and Theoretical ChemistryBiochemistry

Liquid clathrate media containing transition metal halocarbonyl anions; formation and crystal structures of [K+ · 18-crown-6][Cr(CO)5Cl], [H3O+ · 18-crown-6][W(CO)5Cl], [H3O+ · 18-crown-6][W(CO)4Cl3], and [H2O · bis-aza-18-crown-6 · (H+)2][W(CO)4Cl3]2

https://doi.org/10.1016/0022-328x(94)05072-j
Published in Journal of Organometallic Chemistry
Authors Jerry L. Atwood, Simon G. Bott, Peter C. Junk, Michael T. May
InChI=1S/C2F6O3/c3-1(4,5)9-11-10-2(6,7)8JGFHBZWYOYWBRG-UHFFFAOYSA-N

C 2 F 6 O 3

https://doi.org/10.14469/ch/195291
Published
Authors Henry S Rzepa, Imperial College London, Imperial College London, Henry S Rzepa

# wB97XD/Def2TZVPP opt freq(vcd) NMR integral=(acc2e=12,grid=ultrafine