PFI-ZEKE photoelectron and high resolution photoionization spectra of ND3 with MQDT simulations

The rotationally resolved PFI-ZEKE (pulsed-field ionization zero-kinetic energy) photoelectron spectrum of ND3 has been recorded at the v +2 = 0, 1 and 2 thresholds, by single-photon VUV excitation from the ground-state. An assignment of the X̃+2 A″2 ← X̃ A′1 spectrum is presented, allowing a determination of the adiabatic ionization potential of ND3 (82261.7(15) cm-1) and of the rotational constants and positions of the v+2 = 0, 1 and 2 vibrational levels of the ND +3 ion. These parameters are used in a multichannel quantum defect theory (MQDT) simulation of the high-resolution photoionization spectrum in the range 82100-83300 cm-1 [R. Seiler et al., J. Chem. Phys. 118, 10024 (2003).]. A good simulation and an assignment of around 80% of the lines of the ND3 photoionization spectrum are achieved, verifying the validity of the molecular constants derived from the PFI-ZEKE photoelectron spectrum and also the quantum defect parameters derived from ab initio calculations. © 2010 Taylor and Francis