IR-Raman-VCD study of R-(+)-pulegone: influence of the solvent.
R-(+)-Pulegone is a natural monoterpene obtained from the essential oils of a variety of plants. It is used in flavouring agents, perfumery and aromatherapy. In this work, a study of the molecular structure and the infrared and Raman spectra of this chemical is presented. Theoretical calculations reveal the existence of two conformers depending on the position of the methyl group (axial and equatorial), being the equatorial conformer the most stable. A complete and reliable assignment of the IR and Raman spectra of the title compound is made, and the results are used to carry out a detailed interpretation of the VCD spectrum of this compound in the 4000-900 cm(-1) region. Finally, the influence of the solvent in the VCD bands (intensity and sign) has been tested comparing the neat liquid spectrum with the VCD spectra recorded with four solvents.
Aviles-Moreno
Juan Ramón
JR
University of Jaén, Department of Physical and Analytical Chemistry, Campus Las Lagunillas, E-23071 Jaén, Spain. jraviles@ujaen.es
Ureña Horno
Elena
E
Partal Ureña
Francisco
F
López González
Juan Jesús
JJ
D002942:Circular Dichroism; D000081005:Cyclohexane Monoterpenes; D008958:Models, Molecular; D008968:Molecular Conformation; D039821:Monoterpenes / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman; D014732:Vibration
D000081005:Cyclohexane Monoterpenes; D039821:Monoterpenes; D012997:Solvents; C039648:pulegone