Extremely short-lived reaction resonances in CI + HD (v = 1) → DCI + H due to chemical bond softening.
In: Science, Jg. 347 (2015-01-02), Heft 6217, S. 60-63
Online
academicJournal
Zugriff:
The CI + H2 reaction is an important benchmark system in the study of chemical reaction dynamics that has always appeared to proceed via a direct abstraction mechanism, with no clear signature of reaction resonances. Here we report a high-resolution crossed--molecular beam study on the CI + HD (v = 1, j = 0) → DCl + H reaction (where v is the vibrational quantum number and j is the rotational quantum number). Very few forward scattered products were observed. However, two distinctive peaks at collision energies of 2.4 and 4.3 kilocalories per mole for the DCl (v' = 1) product were detected in the backward scattering direction. Detailed quantum dynamics calculations on a highly accurate potential energy surface suggested that these features originate from two very short-lived dynamical resonances trapped in the peculiar H-DCl (v' = 2) vibrational adiabatic potential wells that result from chemical bond softening.We anticipate that dynamical resonances trapped in such wells exist in many reactions involving vibrationally excited molecules. [ABSTRACT FROM AUTHOR]
Titel: |
Extremely short-lived reaction resonances in CI + HD (v = 1) → DCI + H due to chemical bond softening.
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Autor/in / Beteiligte Person: | Yang, Tiangang ; Chen, Jun ; Huang, Long ; Wang, Tao ; Xiao, Chunlei ; Sun, Zhigang ; Dai, Dongxu ; Yang, Xueming ; Zhang, Dong H. |
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Zeitschrift: | Science, Jg. 347 (2015-01-02), Heft 6217, S. 60-63 |
Veröffentlichung: | 2015 |
Medientyp: | academicJournal |
ISSN: | 0036-8075 (print) |
DOI: | 10.1126/science.1260527 |
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