The laser-induced fluorescence excitation, dispersed fluorescence, and IR-UV double resonance spectra of chiral (+/-)-indan-1-ol have been measured in a supersonic expansion. Three low energy conformers of the molecule have been identified, and the ground state vibrational modes of each conformer are tentatively assigned with the aid of quantum chemistry calculations. The frequencies of the nu(OH) and nu(CH) stretch modes of the two most abundant conformers have been measured by fluorescence dip IR spectroscopy and have been used for their assignment.
View Article and Find Full Text PDFTwo low energy conformers of the chiral (R)-1-aminoindan molecule are identified in supersonic jet and their ground and excited states vibrational spectroscopy has been investigated by laser-induced fluorescence (LIF) excitation and single vibronic level (SVL) emission spectroscopy. Ab initio calculations confirm the existence of two lowest-energy structures, where the amino group is in equatorial position with its lone pair directed opposite to the aromatic electron cloud. Harmonic frequencies have been calculated for these two conformers at the DFT level with B3LYP functional.
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