IR spectrum of arginine: experimental research and molecular modeling

Fourier spectroscopy was used to experimental research the infrared (IR) spectrum of arginine in petroleum jelly. The structure and spectra of the L and D -arginine molecule have been modeling by Hartree-Fock method. The vibrational IR spectra of the zwitterionic forms of L, D-arginine were interpreted by analyzing the vibration shape with a certain frequency and calculated frequencies of normal modes, electro-optical parameters, force constants. Molecular configurations corresponding to thermodynamically stable states of arginine isomers have been determined.