Pubblicato 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
Inglese
InChI=1S/C2F6O3/c3-1(4,5)9-11-10-2(6,7)8JGFHBZWYOYWBRG-UHFFFAOYSA-N

C 2 F 6 O 3

Pubblicato
Autori Henry S Rzepa, Imperial College London, Imperial College London, Henry S Rzepa

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

Crystal StructureExperimental 3D CoordinatesCrystal SystemSpace GroupCell Parameters
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CCDC 224327: Experimental Crystal Structure Determination

Pubblicato
Autori H. Pernice, M. Berkei, G. Henkel, H. Willner, G.A. Arguello, M.L. McKee, T.R. Webb

Related Article: H.Pernice, M.Berkei, G.Henkel, H.Willner, G.A.Arguello, M.L.McKee, T.R.Webb|2004|Angew.Chem.,Int.Ed.|43|2843|doi:10.1002/anie.200353369