Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies.
Quantum chemical calculations are used to investigate the experimentally measured reactivities of cyclic dienes and cycloalkenones in the Diels-Alder reaction. The interaction energies (red) are nearly constant; differences arise in changes in distortion energies of both dienophile (blue) and diene...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Language: | English |
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2011
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| _version_ | 1797067310177976320 |
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| author | Paton, R Kim, S Ross, A Danishefsky, S Houk, K |
| author_facet | Paton, R Kim, S Ross, A Danishefsky, S Houk, K |
| author_sort | Paton, R |
| collection | OXFORD |
| description | Quantum chemical calculations are used to investigate the experimentally measured reactivities of cyclic dienes and cycloalkenones in the Diels-Alder reaction. The interaction energies (red) are nearly constant; differences arise in changes in distortion energies of both dienophile (blue) and diene (green; see picture, Ea=activation energy; values in kcal mol-1). Copyright © 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim. |
| first_indexed | 2024-03-06T21:54:26Z |
| format | Journal article |
| id | oxford-uuid:4c6d57b5-193a-4796-a274-9b6c3d8e087c |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T21:54:26Z |
| publishDate | 2011 |
| record_format | dspace |
| spelling | oxford-uuid:4c6d57b5-193a-4796-a274-9b6c3d8e087c2022-03-26T15:49:21ZExperimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:4c6d57b5-193a-4796-a274-9b6c3d8e087cEnglishSymplectic Elements at Oxford2011Paton, RKim, SRoss, ADanishefsky, SHouk, KQuantum chemical calculations are used to investigate the experimentally measured reactivities of cyclic dienes and cycloalkenones in the Diels-Alder reaction. The interaction energies (red) are nearly constant; differences arise in changes in distortion energies of both dienophile (blue) and diene (green; see picture, Ea=activation energy; values in kcal mol-1). Copyright © 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim. |
| spellingShingle | Paton, R Kim, S Ross, A Danishefsky, S Houk, K Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies. |
| title | Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies. |
| title_full | Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies. |
| title_fullStr | Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies. |
| title_full_unstemmed | Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies. |
| title_short | Experimental Diels-Alder reactivities of cycloalkenones and cyclic dienes explained through transition-state distortion energies. |
| title_sort | experimental diels alder reactivities of cycloalkenones and cyclic dienes explained through transition state distortion energies |
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