Quantum calculations of the photoelectron spectra of the OH−·NH3 anion: implications for OH + NH3 → H2O + NH2 reaction dynamics

We present the results of quantum dynamics calculations for analyzing the experimentally measured photoelectron spectra of the OH−·NH3 anion complex. Detachment of an excess electron of OH−·NH3 initially produces a molecular arrangement, which is close to the transition-state structure of the neutra...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-01, Vol.23 (11), p.6950-6958
Hauptverfasser:	Saito, Kohei, Sugiura, Yutaro, Miyazaki, Takaaki, Takahashi, Yukinobu, Takayanagi, Toshiyuki
Format:	Artikel
Sprache:	eng
Schlagworte:	Ammonia Anions Asymptotic methods Mathematical analysis Photodetachment Photoelectrons Qualitative analysis Spectra Wave packets
Online-Zugang:	Volltext
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