A Theoretical Study of the Enol Contents of Cyclohexanone, Cyclopentanone and Acetone
Ashraf M. Al-Msiedeen, Ghassab M. Al-Mazaideh, Salim M. Khalil
Chemical Science International Journal · pp. 1–8 · Published 7 Apr 2016
10.9734/ACSJ/2016/25048Abstract
PM3 and DFT calculations have been performed with complete optimization of geometries on cyclohexanone, cyclopentanone, and acetone. The enol content trend determined in this work was cyclohexanone > cyclopentanone > acetone, which was found to agree with published experimental and theoretical works. Equilibrium constants, strain energies of enols, and electron distributions are reported.
Cited by 3
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