Raman spectral signatures as conformational probes of gas phase flexible molecules.
A novel application of ionization-loss stimulated Raman spectroscopy (ILSRS) for monitoring the spectral features of four conformers of a gas phase flexible molecule is reported. The Raman spectral signatures of four conformers of 2-phenylethylamine are well matched by the results of density functional theory calculations, showing bands uniquely identifying the structures. The measurement of spectral signatures by ILSRS in an extended spectral range, with a conventional laser source, is instrumental in facilitating the unraveling of intra- and intermolecular interactions that are significant in biological structure and activity.
Golan
Amir
A
Department of Physics, Ben-Gurion University, Beer Sheva 84105, Israel.
Mayorkas
Nitzan
N
Rosenwaks
Salman
S
Bar
Ilana
I