How relevant are S=O and P=O Double Bonds for the Description of the Acid Molecules H2SO3, H2SO4, and H3PO4, respectively?

  title={How relevant are S=O and P=O Double Bonds for the Description of the Acid Molecules H2SO3, H2SO4, and H3PO4, respectively?},
  author={Thorsten Stefan and Rudolf Janoschek},
  journal={Molecular modeling annual},
Abstract The acid molecules H2SO3, H2SO4, and H3PO4 are usually drawn using "Lewis structures" which exhibit the octet extension by 3d-orbitals on sulfur and phosphorus, respectively. Thus, S=O and P=O double bonds are assumed to be formed. The natural d-orbital occupancies on S and P, however, were calculated to be as low as 0.1 e, and therefore, an octet extension can hardly be expected. After the natural bond orbitals (NBO) search procedure was forced to attempt to form different Lewis… 
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  • D. Stalke
  • Chemistry, Medicine
    Chemical communications
  • 2012
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