Abstract
Conformational isomers of the aromatic hydrocarbon n-butylbenzene have been studied using two-color REMPI (resonance enhanced multiphoton ionization) and MATI (mass analyzed threshold ionization) spectroscopy to explore the effect of conformation on ionization dynamics. Gauche- and anti-cationic conformers were selectively produced by two-color excitation via the respective S1 origins. Adiabatic ionization potentials of the gauche- and anti-conformations were determined to be 70 148 and 69 955±5 cm−1, respectively. Analysis of the REMPI and MATI spectra allowed the determination of the S0 (38 cm−1), S1 (100 cm−1), and D0 (−155 cm−1) gauche- and anti-conformer energy differences. Spectral features and vibrational modes are interpreted with the aid of MP2/cc-pVDZ ab initio calculations, and ionization-induced changes in the molecular conformations discussed.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
