The Essential Oils of Laurus nobilis L. and Molecular-Spectroscopic Analysis for 1,8-Cineole

In the present study, the chemical composition of the essential oils obtained from leaves of Laurus nobilis naturally grown in Turkey were evaluated using by GC and GC-MS and chemical differences were depated in means of chemotaxonomy. The leaves of the plant samples were hydro-distilled. Twenty components were identified representing 99.3% of the oils, The main compounds in the essential oils were; 1,8-cineole (%48.47), β-pinene (%14.45), linalool (%8.15) and α-pinene (%5.97). In addition, the complexation energies, chemical shifts of the carbon and hydrogen atoms in the 1,8-cineole structures were calculated by ab initio theoretical approaches. The performances of the B3LYP and M06 functionals were tested on carbon and hydrogen complexation energies of the investigated compound. The electronegativity effect of oxygen and solvent effect on complexation energy of the carbons and hydrogens were evaluated with the results obtained.