Photoelectron spectra, electronic structure, coincidence spectra and dissociation mechanisms of the hydrogen cyanide cation
UNSPECIFIED. (1998) Photoelectron spectra, electronic structure, coincidence spectra and dissociation mechanisms of the hydrogen cyanide cation. CHEMICAL PHYSICS, 229 (2-3). pp. 149-163. ISSN 0301-0104Full text not available from this repository.
Photoelectron spectra of HCN and DCN have been recorded at a resolution of 4.5 meV or better using HeI and HeII radiation;Ind have been interpreted by comparison with high-level electronic structure calculations. The calculations predict that HCN+ in the (B) over tilde state, previously thought to be linear, is bent at equilibrium. The spectrum for this state shows strong excitation of the C-H stretching mode and the bending mode. both with frequencies much lower than in neutral HCN. A new satellite state with resolved vibrational structure is found at 22.5 eV, and another new state is seen at 33 eV. The dissociation pathways of HCN+ in (B) over tilde and higher states have been determined by photoelectron-photoion coincidence spectroscopy. There is competition between H+ and CN+ production from most of the resolved levels of the (B) over tilde state above the CN+ threshold: the diatomic products have little vibrational energy. Both the sharp vibrational structure and the competition show that predissociation is slow; the calculations indicate the existence of a barrier, preventing direct dissociation. (C) 1998 Elsevier Science B.V.
|Item Type:||Journal Article|
|Subjects:||Q Science > QD Chemistry
Q Science > QC Physics
|Journal or Publication Title:||CHEMICAL PHYSICS|
|Publisher:||ELSEVIER SCIENCE BV|
|Official Date:||1 April 1998|
|Number of Pages:||15|
|Page Range:||pp. 149-163|
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