Mass-analyzed threshold ionization spectroscopy of o-, m-, and p-methylaniline cations: Vicinal substitution effects on electronic transition, ionization, and molecular vibration
Journal
Journal of Physical Chemistry A
Journal Volume
106
Journal Issue
27
Pages
6462-6468
Date Issued
2002
Author(s)
Lin, J.L.
KING-CHUEN LIN
Tzeng, W.B.
Abstract
We have applied two-color resonant two-photon mass analyzed threshold ionization (MATI) spectroscopy to investigate the ionic properties of the structural isomers of methylaniline. The adiabatic ionization energies of o-, m-, and p-methylanilines have been determined to be 61 002 ( 5, 61 059 ( 5, and 60 160 ( 5 cm-1, respectively. These vibrationally resolved spectra provide information about the active normal vibrations of the corresponding cations. The observed spectral features have been successfully assigned on the basis of comparison with the results from ab initio and density functional calculations and experimental data available in the literature. The results suggest that both the nature of the substitutents and the relative location in the ring can influence the electronic transition, ionization, and molecular vibration for these structural isomers. 1.
Type
journal article