Synthesis, structure and density functional study of the ansa-rhenocene complex [Re{(η-C5H4)CMe2(η-C5H4)}Cl]
The ansa-rhenocene compound [Re{(η-C5H4)CMe2(η-C5H4)}Cl] 1 has been prepared by reaction of ReCl5 with[K2(C5H4)CMe2(C5H4)]. X-Ray crystallography shows the molecular structure to be unsymmetrical, with the angle defined by the Re-bridgehead carbon vector and the chlorine atom found to be 170.4. A de...
| Main Authors: | , , , , , |
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| Format: | Journal article |
| Language: | English |
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2000
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| _version_ | 1826299665316839424 |
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| author | Conway, S Doerrer, L Green, J Green, M Scottow, A Stephens, A |
| author_facet | Conway, S Doerrer, L Green, J Green, M Scottow, A Stephens, A |
| author_sort | Conway, S |
| collection | OXFORD |
| description | The ansa-rhenocene compound [Re{(η-C5H4)CMe2(η-C5H4)}Cl] 1 has been prepared by reaction of ReCl5 with[K2(C5H4)CMe2(C5H4)]. X-Ray crystallography shows the molecular structure to be unsymmetrical, with the angle defined by the Re-bridgehead carbon vector and the chlorine atom found to be 170.4. A density functional study compares the electronic structure of [Re{(η-C5H4)CH2(η-C5H4)}Cl] with [Re{(η-C5H5)2Cl] and shows that for the ansa-bridged species, the chlorine binds less effectively in the central position. The calculated structure of[Re{(η-C5H4)CH2(η-C5H4)}Cl] is also found to be unsymmetrical. |
| first_indexed | 2024-03-07T05:05:24Z |
| format | Journal article |
| id | oxford-uuid:d9bf5515-2922-4c96-b245-62367f3de4e9 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T05:05:24Z |
| publishDate | 2000 |
| record_format | dspace |
| spelling | oxford-uuid:d9bf5515-2922-4c96-b245-62367f3de4e92022-03-27T08:58:09ZSynthesis, structure and density functional study of the ansa-rhenocene complex [Re{(η-C5H4)CMe2(η-C5H4)}Cl]Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:d9bf5515-2922-4c96-b245-62367f3de4e9Inorganic chemistryOrganometallic ChemistryChemistry & allied sciencesEnglishOxford University Research Archive - Valet2000Conway, SDoerrer, LGreen, JGreen, MScottow, AStephens, AThe ansa-rhenocene compound [Re{(η-C5H4)CMe2(η-C5H4)}Cl] 1 has been prepared by reaction of ReCl5 with[K2(C5H4)CMe2(C5H4)]. X-Ray crystallography shows the molecular structure to be unsymmetrical, with the angle defined by the Re-bridgehead carbon vector and the chlorine atom found to be 170.4. A density functional study compares the electronic structure of [Re{(η-C5H4)CH2(η-C5H4)}Cl] with [Re{(η-C5H5)2Cl] and shows that for the ansa-bridged species, the chlorine binds less effectively in the central position. The calculated structure of[Re{(η-C5H4)CH2(η-C5H4)}Cl] is also found to be unsymmetrical. |
| spellingShingle | Inorganic chemistry Organometallic Chemistry Chemistry & allied sciences Conway, S Doerrer, L Green, J Green, M Scottow, A Stephens, A Synthesis, structure and density functional study of the ansa-rhenocene complex [Re{(η-C5H4)CMe2(η-C5H4)}Cl] |
| title | Synthesis, structure and density functional study of the ansa-rhenocene complex [Re{(η-C5H4)CMe2(η-C5H4)}Cl] |
| title_full | Synthesis, structure and density functional study of the ansa-rhenocene complex [Re{(η-C5H4)CMe2(η-C5H4)}Cl] |
| title_fullStr | Synthesis, structure and density functional study of the ansa-rhenocene complex [Re{(η-C5H4)CMe2(η-C5H4)}Cl] |
| title_full_unstemmed | Synthesis, structure and density functional study of the ansa-rhenocene complex [Re{(η-C5H4)CMe2(η-C5H4)}Cl] |
| title_short | Synthesis, structure and density functional study of the ansa-rhenocene complex [Re{(η-C5H4)CMe2(η-C5H4)}Cl] |
| title_sort | synthesis structure and density functional study of the ansa rhenocene complex re η c5h4 cme2 η c5h4 cl |
| topic | Inorganic chemistry Organometallic Chemistry Chemistry & allied sciences |
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