Rigorous quantum dynamical calculations have been performed on the ground 1 1A' and first excited 1 1A" electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum state populations and rotational angular momentum alignment parameters are reported, and are compared with new experimental, and quasiclassical trajectory calculated results. The quantum calculations agree quantitatively with experiment, and reveal unequivocally that the 1 1A" excited state participates in the reaction.
The photoionization efficiency curves of NH 3 and its three isotopomers have been investigated in the photon energy range of the first ionized state. From the analysis of the corresponding vibrational structure, wavenumbers (ω e ) and anharmonicity constants (ω e x e ) are deduced. The detailed investigation of the abundant autoionization structure tends to show the adiabatic ionization energy to be 10.072 ± 0.010 eV for NH 3 , NH 2 D and NHD 2 and 10.083 ± 0.010 eV for ND 3 . All autoionization features were classified in vibrational progressions (v 2 bending mode) belonging to nsa 1 (or nd) and npe (n=5, 6, 7) Rydberg series. Vibrational autoionization occurs through ∆v transitions up to -9. A qualitative analysis of the intensity distribution of these series strongly supports that transitions involving odd ∆v values are favoured. This observation can be understood by applying group theoretical considerations to the theory of vibrational autoionization.
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