New answers tagged theoretical-chemistry
1
The conclusion is left to the reader. I believe that there is no useful value in involving d-orbitals in the description of "hypervalent" molecules while remaining on the level of the octet rule.
A typical example for when the octet rule seems to fail is sulfur hexafluoride.
The naive approach
Let's do a quantum chemistry calculation. Using a PBE-D3/def2-...
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