Structural study, coordinated normal analysis and vibrational spectra of 4-hydroxy-3-(3-methyl-2-butenyl)acetophenone.

@article{Lizarraga2012StructuralSC,
  title={Structural study, coordinated normal analysis and vibrational spectra of 4-hydroxy-3-(3-methyl-2-butenyl)acetophenone.},
  author={Emilio F. Lizarraga and Elida Romano and Roxana Amelia Rudyk and C. Catalan and Silvia Antonia Brand{\'a}n},
  journal={Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy},
  year={2012},
  volume={97},
  pages={202-8}
}
Structural and vibrational properties of 4-hydroxy-3-(3-methyl-2-butenyl)acetophenone, isolated from Senecio nutans Sch. Bip. (Asteraceae) were studied by infrared and Raman spectroscopies in solid phase. The Density Functional Theory (DFT) method together with Pople's basis set show seven stable conformers for the compound in the gas phase and that only two conformations are probably present in the solid phase. The harmonic vibrational wavenumbers for the optimized geometry were calculated at… CONTINUE READING