Research Article

Structural Preferences and Vibrational Analysis of 2-Hydroxy-2-methyl-1-phenylpropan-1-one: A Computational and Infrared Spectroscopic Research

Table 3

Calculated energies of 2-hydroxy-2-methyl-1-phenylpropan-1-one in gas, DMSO, and chloroform.

DFT/B3LYP/6-311+G**GasDMSOChloroform

(hartree)
(eV)
(eV)
(eV)
(eV)
(eV)
(eV)6.6676.7766.776

Dipole moment (Debye)4.15365.63535.1924