Abstract
The rotationally resolved PFI-ZEKE (pulsed-field ionization zero-kinetic energy) photoelectron spectrum of ND3 has been recorded at the = 0, 1 and 2 thresholds, by single-photon VUV excitation from the ground-state. An assignment of the ← 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 = 0, 1 and 2 vibrational levels of the 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.
Acknowledgements
We are grateful for financial support of this work to the Swiss National Science Foundation (project No 200020-125030), to the Petroleum Research Fund of the American Chemical Society, and to the Engineering and Physical Sciences Research Council.