Rotamers of m-aminophenol cation studied by mass analyzed threshold ionization spectroscopy and theoretical calculations

The vibrationally resolved spectra of selected rotamers of m-aminophenol have been recorded by mass analyzed threshold ionization spectroscopy in connection with two-color resonant two-photon excitation scheme. The adiabatic ionization energies of the cis and trans rotamers are 61460 +/- 5 and 61734 +/- 5 cm(-1), respectively. The frequencies of modes 1 (breathing) and 18a (in-plane CH bending) are measured to be 744 and 1097 cm(-1) for the cis, and 736 and 1104 cm(-1) for the trans rotamer, respectively. This indicates that different orientation of the OH with respect to the NH2 substituent only slightly influences these two modes. (C) 2004 Elsevier B.V. All rights reserved.