The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction
We present a four-dimensional quantum scattering model to treat reactions of the type CH4 + X → CH3 + XH. The most important feature of the model is that it allows the effect of the symmetric and asymmetric stretching vibrations of CH4 on reactivity to be studied. We used the model to study the CH4...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
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2000
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| _version_ | 1826298758113001472 |
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| author | Palma, J Clary, D |
| author_facet | Palma, J Clary, D |
| author_sort | Palma, J |
| collection | OXFORD |
| description | We present a four-dimensional quantum scattering model to treat reactions of the type CH4 + X → CH3 + XH. The most important feature of the model is that it allows the effect of the symmetric and asymmetric stretching vibrations of CH4 on reactivity to be studied. We used the model to study the CH4 + O(3P) → CH3 + OH reaction. We found that the symmetric stretch vibration is more efficient in promoting reaction than the asymmetric stretch. We also found that exciting any of these stretching modes produces an inverted population in the umbrella vibration of product CH3 while, for the reactants in the ground state, the population is non-inverted. |
| first_indexed | 2024-03-07T04:51:42Z |
| format | Journal article |
| id | oxford-uuid:d52f63c0-3fd7-455f-a0b5-ad7e6c3e103e |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T04:51:42Z |
| publishDate | 2000 |
| record_format | dspace |
| spelling | oxford-uuid:d52f63c0-3fd7-455f-a0b5-ad7e6c3e103e2022-03-27T08:24:06ZThe effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reactionJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:d52f63c0-3fd7-455f-a0b5-ad7e6c3e103eEnglishSymplectic Elements at Oxford2000Palma, JClary, DWe present a four-dimensional quantum scattering model to treat reactions of the type CH4 + X → CH3 + XH. The most important feature of the model is that it allows the effect of the symmetric and asymmetric stretching vibrations of CH4 on reactivity to be studied. We used the model to study the CH4 + O(3P) → CH3 + OH reaction. We found that the symmetric stretch vibration is more efficient in promoting reaction than the asymmetric stretch. We also found that exciting any of these stretching modes produces an inverted population in the umbrella vibration of product CH3 while, for the reactants in the ground state, the population is non-inverted. |
| spellingShingle | Palma, J Clary, D The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction |
| title | The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction |
| title_full | The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction |
| title_fullStr | The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction |
| title_full_unstemmed | The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction |
| title_short | The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4 → OH + CH3 reaction |
| title_sort | effect of the symmetric and asymmetric stretching vibrations of ch4 on the o 3p ch4 oh ch3 reaction |
| work_keys_str_mv | AT palmaj theeffectofthesymmetricandasymmetricstretchingvibrationsofch4ontheo3pch4ohch3reaction AT claryd theeffectofthesymmetricandasymmetricstretchingvibrationsofch4ontheo3pch4ohch3reaction AT palmaj effectofthesymmetricandasymmetricstretchingvibrationsofch4ontheo3pch4ohch3reaction AT claryd effectofthesymmetricandasymmetricstretchingvibrationsofch4ontheo3pch4ohch3reaction |