Laser R2PI spectroscopic and mass spectrometric studies of chiral neurotransmitters

One color, mass selected resonant two-photon ionization (1cR2PI) spectra of supersonically expanded bare neurotransmitter, (1S,2S)-(+)-N-methyl pseudoephedrine (MPE), and its complexes with chiral and achiral molecules have been investigated. The excitation spectrum of bare MPE has been analyzed and discussed on the basis of theoretical predictions at the B3LYP/6-31G** level of theory. The results allowed to get information on the possible conformers of MPE molecule and on the intermolecular forces on its cluster formed with a variety of solvent molecules, including chiral alcohols, lactates and water. Further information on intermolecular interactions have been obtained with ESI-CID-MS2 technique, applied to chiral biomolecules linked through a metal ion to the neurotransmitter. The experimental results are compared with theoretical predictions.