title: Vibrational spectroscopic studies on the natural product, columbianadin.
abstract: NIR-FT Raman and FT-IR spectra of columbianadin, extracted from seeds and roots of Heracleum candolleaum, were recorded and analyzed. The vibrational frequencies of the compound have been computed using semi-empirical AM1 method and compared with experimental values. The C=O stretching frequencies of the carbonyl groups have been lowered due to conjugation. The CH stretching and bending vibrations of CH3 groups of the ester part indicate the presence of hyperconjugation effect. Characteristic ring vibrations have also been identified.
authors.affiliation: Department of Physics, Mar Ivanios College, Thiruvananthapuram-695 015, Kerala, India.
authors.forename: Jose P
authors.initials: JP
authors.lastname: Abraham
authors.forename: I Hubert
authors.initials: IH
authors.lastname: Joe
authors.forename: V
authors.initials: V
authors.lastname: George
authors.forename: O F
authors.initials: OF
authors.lastname: Nielsen
authors.forename: V S
authors.initials: VS
authors.lastname: Jayakumar
mesh_terms: D002244:Carbon / Q000032:analysis; D003374:Coumarins / Q000032:analysis* / Q000737:chemistry; D006859:Hydrogen / Q000032:analysis; D010100:Oxygen / Q000032:analysis; D013053:Spectrophotometry / Q000379:methods*; D013055:Spectrophotometry, Infrared; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013059:Spectrum Analysis, Raman; D013816:Thermodynamics
chemical_list: D003374:Coumarins; C064386:columbianadin; D002244:Carbon; D006859:Hydrogen; D010100:Oxygen