Difference between revisions of "Hannah"

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==Keto Acetylacetone==
 
==Keto Acetylacetone==
 
With geometry optimization
 
With geometry optimization
 +
 
[[File:molecule (2).png|300px]]
 
[[File:molecule (2).png|300px]]
  
 +
PubChem's 3D structure has both oxygens pointing in the same direction
  
PubChem's 3D structure has both oxygens pointing in the same direction
 
 
[[File:Acetylacetone_400×300_3D_Conformer.png|300px]]
 
[[File:Acetylacetone_400×300_3D_Conformer.png|300px]]
  
 
Proton NMR (Hartree-Fock)
 
Proton NMR (Hartree-Fock)
 +
 
[[File:ketoNMR.png|300px]]
 
[[File:ketoNMR.png|300px]]
  

Revision as of 18:11, 15 April 2021

Tautomers of Acetylacetone (C5H8O2)

Usually the keto tautomer is favored Keto = ketone Enol = alcohol

may also be referred to as an alkenol

Keto Acetylacetone

With geometry optimization

Molecule (2).png

PubChem's 3D structure has both oxygens pointing in the same direction

Error creating thumbnail: File missing

Proton NMR (Hartree-Fock)

KetoNMR.png

Enol Acetylacetone

Molecule.png

Proton NMR (Hartree-Fock)

Plot.png