Quantum stereodynamics of four-atom reactions: theory and application to H(2)+OH <-> H(2)O+H
This article presents a theoretical quantum method for the description of the stereo-dynamics of four-atom reactions of the type AB(vAB, jAB) + CD(vCD, jCD) ↔ ABC(v′1, v′2 , v′3, j′) + D. The method is based on density matrix techniques and angular momentum algebra, and requires knowledge of the sca...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
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1999
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| _version_ | 1797070357750874112 |
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| author | Miranda, d Pogrebnya, S Clary, D |
| author_facet | Miranda, d Pogrebnya, S Clary, D |
| author_sort | Miranda, d |
| collection | OXFORD |
| description | This article presents a theoretical quantum method for the description of the stereo-dynamics of four-atom reactions of the type AB(vAB, jAB) + CD(vCD, jCD) ↔ ABC(v′1, v′2 , v′3, j′) + D. The method is based on density matrix techniques and angular momentum algebra, and requires knowledge of the scattering matrix. Reagents and products are treated on an equal footing, and the reaction stereodynamics can be analysed either in the rotational polarisation or in the molecular polarisation representation. The formalism is applied to the H2(0,jH2) + OH(0,jOH) ↔ H2O(0, 0, 0, 0) + H reaction at zero total angular momentum and reveals state-specific correlations between the polarisations of the diatomic molecules, their approach or recoil directions, and the reaction probability. |
| first_indexed | 2024-03-06T22:37:39Z |
| format | Journal article |
| id | oxford-uuid:5a761920-5d84-4ac3-a98c-9ecc252ff6b1 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T22:37:39Z |
| publishDate | 1999 |
| record_format | dspace |
| spelling | oxford-uuid:5a761920-5d84-4ac3-a98c-9ecc252ff6b12022-03-26T17:15:56ZQuantum stereodynamics of four-atom reactions: theory and application to H(2)+OH <-> H(2)O+HJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:5a761920-5d84-4ac3-a98c-9ecc252ff6b1EnglishSymplectic Elements at Oxford1999Miranda, dPogrebnya, SClary, DThis article presents a theoretical quantum method for the description of the stereo-dynamics of four-atom reactions of the type AB(vAB, jAB) + CD(vCD, jCD) ↔ ABC(v′1, v′2 , v′3, j′) + D. The method is based on density matrix techniques and angular momentum algebra, and requires knowledge of the scattering matrix. Reagents and products are treated on an equal footing, and the reaction stereodynamics can be analysed either in the rotational polarisation or in the molecular polarisation representation. The formalism is applied to the H2(0,jH2) + OH(0,jOH) ↔ H2O(0, 0, 0, 0) + H reaction at zero total angular momentum and reveals state-specific correlations between the polarisations of the diatomic molecules, their approach or recoil directions, and the reaction probability. |
| spellingShingle | Miranda, d Pogrebnya, S Clary, D Quantum stereodynamics of four-atom reactions: theory and application to H(2)+OH <-> H(2)O+H |
| title | Quantum stereodynamics of four-atom reactions: theory and application to H(2)+OH <-> H(2)O+H |
| title_full | Quantum stereodynamics of four-atom reactions: theory and application to H(2)+OH <-> H(2)O+H |
| title_fullStr | Quantum stereodynamics of four-atom reactions: theory and application to H(2)+OH <-> H(2)O+H |
| title_full_unstemmed | Quantum stereodynamics of four-atom reactions: theory and application to H(2)+OH <-> H(2)O+H |
| title_short | Quantum stereodynamics of four-atom reactions: theory and application to H(2)+OH <-> H(2)O+H |
| title_sort | quantum stereodynamics of four atom reactions theory and application to h 2 oh lt gt h 2 o h |
| work_keys_str_mv | AT mirandad quantumstereodynamicsoffouratomreactionstheoryandapplicationtoh2ohltgth2oh AT pogrebnyas quantumstereodynamicsoffouratomreactionstheoryandapplicationtoh2ohltgth2oh AT claryd quantumstereodynamicsoffouratomreactionstheoryandapplicationtoh2ohltgth2oh |