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

Tim Softley (1) , F. Merkt (2) , Martin Schaefer (3) , Urs Hollenstein (2)

1 AOPP - Department of Atmospheric, Oceanic and Planetary Physics [Oxford]
2 ETH Zürich - Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology [Zürich]
3 ETH-LPC - Laboratorium für Physikalische Chemie

The rotationally resolved PFI-ZEKE (pulsed-field ionization zero-kinetic energy) photoelectron spectrum of ND3 has been recorded at the v2+ = 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 v2+ = 0, 1 and 2 vibrational levels of the ND3+ 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.

Mots clés: Physical Sciences

Tim Softley, F. Merkt, Martin Schaefer, Urs Hollenstein. PFI-ZEKE photoelectron and high resolution photoionization spectra of ND3 with MQDT simulations. Molecular Physics, 2010, 108 (07-09), pp.1069-1082. ⟨10.1080/00268971003649315⟩. ⟨hal-00596289⟩