Vacuum Preparation and Ionization Energies of FN3 and IN3 (pages 300–303)
Che Huijuan, Bi Huimin, Zeng Yanli, Meng Lingpeng, Zheng Shijun, Chau Foo-tim and Wang Dianxun
Article first published online: 11 MAR 2003 | DOI: 10.1002/cphc.200390049
Reactions in the pipeline: Flowing beams of FN3 and IN3 gas were directly prepared on-line to a HeI photoelectron spectrometer. The ionization energies corresponding to removing electrons from different molecular orbitals of both FN3 and IN3 were determined by photoelectron spectroscopy experiments and by both restricted outer valence Green's function (ROVGF) and ab initio Gaussian 2 (G2) calculations. The experimental results (see graphic) are in excellent agreement with the theoretical ones. The first PES ionization energies of FN3 and IN3 are 10.86 and 9.34 eV, respectively.