Two-color resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of o-chloroanisole

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

“…As a result, these theoretic calculations predict that the E 1 's and IEs of the two isotopologues are the same, as those found in our R2PI and MATI experiments. Similar findings have been reported for o-chloroanisole [6], p-chlorophenol [31], p-chloroaniline [32], and m-chloroaniline [33].…”

“…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. However, the CH 3 torsion has been observed for trans-o-chloroanisole [6]. This can be understood as follows.…”

“…Studies of molecular rotamers can help us to have more insights into some biological phenomena and processes [1,2]. Because chloroanisoles are widely found in our daily lives, they become targets of various academic and practical studies [3][4][5][6]. Due to different relative orientation of the OCH 3 group with respect to the Cl atom, m-chloroanisole may have stable cis and trans rotamers, as seen in Fig.…”

Substitution-induced Nonplanarity of 3-Fluorothioanisole in the First Electronically Excited State

“…For example, the trans- 2-fluorothioanisole molecule (2FTA) was found to be planar in the S 0 and D 0 states, while it is slightly distorted in the S 1 state; stable planar cis- and trans- rotamers were observed in each of the S 0 , S 1 , and D 0 states for 3-chlorothioanisole (3ClTA) . The stable structures for most anisole − derivatives have been found to be planar, while stable nonplanar structures were determined for C 6 H 5 SCF 3 − and N-methylaniline (NMA) derivatives. − …”

“…The intrinsic nature, orientation, and relative position of the substituted functional groups are key factors in determining the stable structures of benzene derivatives. For example, the cis- rotamers of 3-substituted thiophenol, anisole, ,− and NMA are stable, while the cis- rotamers of the corresponding 2-substituted counterpart molecules are not stable, − ,, indicating that the steric effects between the substituents are important in determining the stabilities of the molecules. The electronic excitation energies from the S 0 state to the S 1 state (E 1 ) for the fluoro-substituted benzene derivatives are usually blue-shifted, whereas those for the chloro-substituted ones are red-shifted, compared to those of the nonsubstituted ones.…”