Torsions of N-methylpyrrole and its cation

Torsional levels in N-methylpyrrole are investigated in the ground (S-0) and first excited (S-1) neutral states using two-dimensional laser-induced fluorescence (2D-LIF), and in the ground state cation (D-0(+)) using zero-electronkinetic-energy (ZEKE) spectroscopy. The ZEKE spectra confirm the largely Rydberg nature of the S-1 state. The activity seen in both the 2D-LIF and ZEKE spectra are indicative of vibronic (including torsional) interactions and torsional potentials in the three electronic states are deduced, and are consistent with calculated geometries. The adiabatic ionization energy of N-methylpyrrole is derived as 64250 +/- 5 cm(-1).

Automated summary

The torsional levels in N-methylpyrrole were investigated in different electronic states using 2D-LIF and ZEKE spectroscopy, revealing the Rydberg nature of the S-1 state and consistent torsional potentials with calculated geometries. The adiabatic ionization energy of N-methylpyrrole was determined to be 64250 +/- 5 cm(-1).