Interesting ChemistryMt. EverestScientistChimicaInglese

Ionizing yet more ultra-strong acids with water molecules.

https://doi.org/10.59350/ms7q7-abe33
Pubblicato in Henry Rzepa's Blog

This might be seen as cranking a handle by producing yet more examples of acids ionised by a small number of water molecules. I justify it (probably only to myself) as an exercise in how a scientist might approach a problem, and how it linearly develops with time, not necessarily in the directions first envisaged.

References

InChI=1S/C2HF6NO4S2.2H2O/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h9H;2*1H2BYGUIVBQSUYGJZ-UHFFFAOYSA-N

C 2 H 5 F 6 N 1 O 6 S 2

https://doi.org/10.14469/ch/191136
Pubblicato
Autori Henry S Rzepa, Imperial College London, Imperial College London, Henry S Rzepa

# opt freq wb97xd/6-311++g(2d,2p) geom=connectivity integral=(acc2e=12

InChI=1S/C2F6NO4S2.2H2O.H/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;/h;2*1H2;HZUNFZPXGAOADC-UHFFFAOYSA-N

C 2 H 5 F 6 N 1 O 6 S 2

https://doi.org/10.14469/ch/191137
Pubblicato
Autori Henry S Rzepa, Imperial College London, Imperial College London, Henry S Rzepa

# opt(calcfc) freq wb97xd/6-311++g(2d,2p) geom=connectivity integral=(