Conformational and vibrational studies of arachidonic acid, light and temperature effects on ATR-FTIR spectra.

Arachidonic acid (AA) (cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid) is an omega-6 polyunsaturated fatty acid (PUFA) constituent of the phospholipids of cell membranes. The conformational behavior of AA in the gas phase was investigated by means of density functional theory (DFT) using B3LYP method with 6-311++G(d,p) basis set. Theoretical calculations on the structures and infrared spectra of monomer conformers and dimer form of the most stable monomer conformer of AA were performed.