Precise determination of adiabatic ionisation energies of large polyatomic molecules: p-diaminobenzene

Autor: Schmitz, Joel R., Hollenstein, Urs, Merkt, Frédéric
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Molecular Physics
ISSN: 0026-8976
1362-3028
Popis: We present a procedure, based on established principles, to accurately determine the ionisa-tion energies of medium-sized to large polyatomic molecules in supersonic beams. The methodcombines single-photon excitation from the electronic ground state using tunable vacuum-ultraviolet laser radiation, the delayed pulsed-field ionisation of high Rydberg states with sequencesof pulsed electric fields, and the modelling of the lineshapes from calculations of the field-ionisation dynamics of high Rydberg states and of the rotational contours of the photoelec-tron bands. The method is illustrated by a measurement of the adiabatic ionisation energy ofp-diaminobenzene (p-DB), for which we obtain the value of 54,617.47(15) cm−1, which representsa more than 20-fold accuracy improvement over previous determinations.
Molecular Physics
ISSN:0026-8976
ISSN:1362-3028
Databáze: OpenAIRE