Calculate the scf energies of keto and enol forms,

Reference no: EM13240009

Consider ethanal (acetylaldehyde) which can exist as a pair of tautomers in equilibrium. Calculate the SCF energies of keto and enol forms, convert to Kcal/mole and calculate their relative energy values.

Do the same for 2,2 difluoro ethanal and compare your results. How does the presence of the fluorine atoms effect the keto/enol ratio?

Explain your results thoroughly.

Next do the same for 2 nitro ethanal NO2-CH2-CHO.

Reference no: EM13240009

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