Computational Studies on the Pt(II)-Catalyzed Cycloisomerization of 1,6-dienes into Bicyclopropanes: A Mechanistic Quandary Evaluated by DFT.
The mechanism of the (bis(phosphanylethyl)phosphane)Pt(2+) catalyzed cyclo-isomerization reaction of 7-methyl-octa-1,6-diene to form 1-isopropylbicyclo[3.1.0]hexane was studied using computational methods. The cyclopropanation step was found to be the turnover-limiting step. The overall reaction pro...
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| Format: | Journal article |
| Language: | English |
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2009
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| _version_ | 1797093697522761728 |
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| author | Bell, F Holland, J Green, J Gagné, MR |
| author_facet | Bell, F Holland, J Green, J Gagné, MR |
| author_sort | Bell, F |
| collection | OXFORD |
| description | The mechanism of the (bis(phosphanylethyl)phosphane)Pt(2+) catalyzed cyclo-isomerization reaction of 7-methyl-octa-1,6-diene to form 1-isopropylbicyclo[3.1.0]hexane was studied using computational methods. The cyclopropanation step was found to be the turnover-limiting step. The overall reaction proceeds via both a 5-exo and a 6-endo route. W conformations were shown to facilitate cyclopropanation, but do not have any influence on the rate of the 1,2-hydride shifts. |
| first_indexed | 2024-03-07T04:04:03Z |
| format | Journal article |
| id | oxford-uuid:c58b3afb-c4d8-4af0-9cb5-67000790a06d |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T04:04:03Z |
| publishDate | 2009 |
| record_format | dspace |
| spelling | oxford-uuid:c58b3afb-c4d8-4af0-9cb5-67000790a06d2022-03-27T06:31:42ZComputational Studies on the Pt(II)-Catalyzed Cycloisomerization of 1,6-dienes into Bicyclopropanes: A Mechanistic Quandary Evaluated by DFT.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:c58b3afb-c4d8-4af0-9cb5-67000790a06dEnglishSymplectic Elements at Oxford2009Bell, FHolland, JGreen, JGagné, MRThe mechanism of the (bis(phosphanylethyl)phosphane)Pt(2+) catalyzed cyclo-isomerization reaction of 7-methyl-octa-1,6-diene to form 1-isopropylbicyclo[3.1.0]hexane was studied using computational methods. The cyclopropanation step was found to be the turnover-limiting step. The overall reaction proceeds via both a 5-exo and a 6-endo route. W conformations were shown to facilitate cyclopropanation, but do not have any influence on the rate of the 1,2-hydride shifts. |
| spellingShingle | Bell, F Holland, J Green, J Gagné, MR Computational Studies on the Pt(II)-Catalyzed Cycloisomerization of 1,6-dienes into Bicyclopropanes: A Mechanistic Quandary Evaluated by DFT. |
| title | Computational Studies on the Pt(II)-Catalyzed Cycloisomerization of 1,6-dienes into Bicyclopropanes: A Mechanistic Quandary Evaluated by DFT. |
| title_full | Computational Studies on the Pt(II)-Catalyzed Cycloisomerization of 1,6-dienes into Bicyclopropanes: A Mechanistic Quandary Evaluated by DFT. |
| title_fullStr | Computational Studies on the Pt(II)-Catalyzed Cycloisomerization of 1,6-dienes into Bicyclopropanes: A Mechanistic Quandary Evaluated by DFT. |
| title_full_unstemmed | Computational Studies on the Pt(II)-Catalyzed Cycloisomerization of 1,6-dienes into Bicyclopropanes: A Mechanistic Quandary Evaluated by DFT. |
| title_short | Computational Studies on the Pt(II)-Catalyzed Cycloisomerization of 1,6-dienes into Bicyclopropanes: A Mechanistic Quandary Evaluated by DFT. |
| title_sort | computational studies on the pt ii catalyzed cycloisomerization of 1 6 dienes into bicyclopropanes a mechanistic quandary evaluated by dft |
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