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Photoelectron spectra, electronic structure, coincidence spectra and dissociation mechanisms of the hydrogen cyanide cation
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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 0301-0104.
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Abstract
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 | ||||
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Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
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Journal or Publication Title: | CHEMICAL PHYSICS | ||||
Publisher: | ELSEVIER SCIENCE BV | ||||
ISSN: | 0301-0104 | ||||
Official Date: | 1 April 1998 | ||||
Dates: |
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Volume: | 229 | ||||
Number: | 2-3 | ||||
Number of Pages: | 15 | ||||
Page Range: | pp. 149-163 | ||||
Publication Status: | Published |
Data sourced from Thomson Reuters' Web of Knowledge
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