Synthesis, Structure, and Bonding for Bis(permethylpentalene)diiron
The synthesis of the first homoleptic double metallocene complex of iron, Fe2Pn*2 (Pn* = permethylpentalene, C8Me6) is described. The structural and electronic properties of Fe2Pn*2 have been characterized by NMR and EPR spectroscopy, single crystal X-ray diffraction, magnetic measurements, cyclic v...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
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American Chemical Society
2015
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| _version_ | 1797066567493615616 |
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| author | Myers, W O'Hare, D Binding, S Green, J |
| author_facet | Myers, W O'Hare, D Binding, S Green, J |
| author_sort | Myers, W |
| collection | OXFORD |
| description | The synthesis of the first homoleptic double metallocene complex of iron, Fe2Pn*2 (Pn* = permethylpentalene, C8Me6) is described. The structural and electronic properties of Fe2Pn*2 have been characterized by NMR and EPR spectroscopy, single crystal X-ray diffraction, magnetic measurements, cyclic voltammetry, and DFT calculations. Fe2Pn*2 adopts a Ci symmetry in the solid state with a Fe-Fe distance of 2.3175(9) Å, slightly lower than the sum of radii in metallic iron. Magnetic measurements in solution, and of the solid phase between 60 and 300 K, indicate that Fe2Pn*2 is a triplet (S = 1) paramagnet, with effective magnetic moments (μeff) of 3.4 and 3.48 μB, respectively. DFT calculations indicate the origin of this high magnetic moment is likely to be unquenched orbital angular momentum contributions from two SOMOs which have metal d character. Cyclic voltammetry studies demonstrate that Fe2Pn*2 can access four charge states (-1, 0, +1, +2). |
| first_indexed | 2024-03-06T21:43:55Z |
| format | Journal article |
| id | oxford-uuid:48e434d7-b17c-49a6-98bb-db7494f1dfcc |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T21:43:55Z |
| publishDate | 2015 |
| publisher | American Chemical Society |
| record_format | dspace |
| spelling | oxford-uuid:48e434d7-b17c-49a6-98bb-db7494f1dfcc2022-03-26T15:28:20ZSynthesis, Structure, and Bonding for Bis(permethylpentalene)diironJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:48e434d7-b17c-49a6-98bb-db7494f1dfccEnglishSymplectic Elements at OxfordAmerican Chemical Society2015Myers, WO'Hare, DBinding, SGreen, JThe synthesis of the first homoleptic double metallocene complex of iron, Fe2Pn*2 (Pn* = permethylpentalene, C8Me6) is described. The structural and electronic properties of Fe2Pn*2 have been characterized by NMR and EPR spectroscopy, single crystal X-ray diffraction, magnetic measurements, cyclic voltammetry, and DFT calculations. Fe2Pn*2 adopts a Ci symmetry in the solid state with a Fe-Fe distance of 2.3175(9) Å, slightly lower than the sum of radii in metallic iron. Magnetic measurements in solution, and of the solid phase between 60 and 300 K, indicate that Fe2Pn*2 is a triplet (S = 1) paramagnet, with effective magnetic moments (μeff) of 3.4 and 3.48 μB, respectively. DFT calculations indicate the origin of this high magnetic moment is likely to be unquenched orbital angular momentum contributions from two SOMOs which have metal d character. Cyclic voltammetry studies demonstrate that Fe2Pn*2 can access four charge states (-1, 0, +1, +2). |
| spellingShingle | Myers, W O'Hare, D Binding, S Green, J Synthesis, Structure, and Bonding for Bis(permethylpentalene)diiron |
| title | Synthesis, Structure, and Bonding for Bis(permethylpentalene)diiron |
| title_full | Synthesis, Structure, and Bonding for Bis(permethylpentalene)diiron |
| title_fullStr | Synthesis, Structure, and Bonding for Bis(permethylpentalene)diiron |
| title_full_unstemmed | Synthesis, Structure, and Bonding for Bis(permethylpentalene)diiron |
| title_short | Synthesis, Structure, and Bonding for Bis(permethylpentalene)diiron |
| title_sort | synthesis structure and bonding for bis permethylpentalene diiron |
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