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• W1985835183 abstract "We report studies of a supersonically cooled 2-indanol using two-color resonantly enhanced multiphoton ionization (REMPI) and two-color zero kinetic energy (ZEKE) photoelectron spectroscopy. In the REMPI experiment, we have identified three conformers of 2-indanol and assigned the vibrational structures of the first electronically excited state for the two major conformers. Conformer Ia contains an intramolecular hydrogen bond between the –OH group and the phenyl ring, while conformer IIb has the –OH group in the equatorial position. We have further investigated the vibrational spectroscopy of the cation for the two major conformers using the ZEKE spectroscopy. The two conformers display dramatically different vibrational distributions. The ZEKE spectrum of conformer Ia shows an extensive progression in the puckering mode of the five member ring, indicating a significant geometry change upon ionization. The ZEKE spectra of conformer IIb are dominated by single vibronic transitions, and the intensity of the ZEKE signal is much stronger than that of conformer Ia. These results indicate an invariance of the molecular frame during ionization for conformer IIb. We have performed ab initio and density functional theory calculations to obtain potential energy surfaces along the dihedral angle involving the –OH group for all three electronic states. In addition, we have also calculated the vibrational distribution of the ZEKE spectrum for the puckering mode of the five member ring. Not only the vibrational frequencies but also the intensity distributions for both conformers have been reproduced satisfactorily. The adiabatic ionization energies have been determined to be 68593±5cm−1 for conformer Ia and 68981±5cm−1 for conformer IIb." @default.
• W1985835183 created "2016-06-24" @default.
• W1985835183 creator A5006376061 @default.
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• W1985835183 date "2006-05-22" @default.
• W1985835183 modified "2023-09-23" @default.
• W1985835183 title "Resonantly enhanced multiphoton ionization and zero kinetic energy photoelectron spectroscopy of 2-indanol conformers" @default.
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• W1985835183 doi "https://doi.org/10.1063/1.2201747" @default.
• W1985835183 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16774331" @default.
• W1985835183 hasPublicationYear "2006" @default.
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