Rajalakshmi, K. published the artcileVibrational assignments of α-acetyl -γ- butyrolactone by ab initio Hartree-Fock and density functional methods, Application of 3-Acetyldihydrofuran-2(3H)-one, the publication is International Journal of ChemTech Research (2018), 11(6), 145-159, database is CAplus.
The Fourier transform IR and FT-Raman spectra of α-acetyl-γ-butyrolactone have been recorded in region 4,000-400 and 4,000-100 cm-1 resp. A complete assignment and anal. of fundamental vibration modes of the mol. have been carried out. The observed fundamental modes have been compared with harmonic vibration frequencies computed using d. functional theory calculations by employing B3LYP functional at 6-311 + G(d,p) level. UV-Visible spectrum of the compound has been recorded and electronic properties, such as HOMO (HOMO) and LUMO (LUMO) energies have been calculated with B3LYP/6-311 + + G(d,p) level. These calculated energies show that charge transfer occurs within mol. Mulliken population anal. and thermodn. properties of title compound have also been calculated
International Journal of ChemTech Research published new progress about 517-23-7. 517-23-7 belongs to esters-buliding-blocks, auxiliary class Tetrahydrofuran,Ketone,Ester, name is 3-Acetyldihydrofuran-2(3H)-one, and the molecular formula is C6H8O3, Application of 3-Acetyldihydrofuran-2(3H)-one.
Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics