Cation spectroscopy of o-fluoroanisole and p-fluoroanisole by two-color resonant two-photon mass-analyzed threshold ionization

Rotamers of m-chloroanisole studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy

“…This indicates that the molecular geometry and the vibrational coordinates of modes 9a and 1 the cations in the D 0 state resemble those of the neutral species in the S 1 state for cism-chloroanisole. Similar findings have been reported for anisole [24], p-fluoroanisole [26], and m-fluoroanisole [27].…”

“…Concerning the internal motion of the methyl group, no lowfrequency band corresponding to the CH 3 torsion appear in the vibronic and MATI spectra of m-chloroanisole, as that in anisole [24] and o-, m-, and p-fluoroanisole [26,27]. A possible explanation is that the interaction between the Cl atom and the OCH 3 group is weak when the two substituents are far apart.…”

“…Comparing these new data with those of anisole [24] and its derivatives [25][26][27][28], we can learn the chlorine substitution effect on the transition energy and molecular vibrations.…”

Resonant two-photon mass-analyzed threshold ionization spectroscopy of 1-fluoronaphthalene and 2-fluoronaphthalene

“…This indicates that the molecular geometry and vibrational coordinates of the 1FN cation in the D 0 state resemble those of the neutral in the S 1 state. Similar observations have been reported for tetracene [23], o-fluoroanisole [38] and o-chloroanisole [39]. The observed MATI bands of the 1FN cation are listed in Table 2, along with the predicted frequencies from the UB3PW91/6-311++G(d,p) calculations and their possible assignments.…”

“…This indicates that the Franck-Condon principle dominates the D 0 S 1 transition. In other words, the molecular geometry and vibrational coordinates of the 2FN cation in the D 0 state resemble those of the neutral in the S 1 state, as those found in 1FN, tetracene [23], o-fluoroanisole [38] and o-chloroanisole [39].…”