دورية أكاديمية
A rhodium-pentane sigma-alkane complex: characterization in the solid state by experimental and computational techniques
| العنوان: | A rhodium-pentane sigma-alkane complex: characterization in the solid state by experimental and computational techniques |
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| المؤلفون: | Chadwick, F Mark, Rees, Nicholas H, Weller, Andrew S, Krämer, Tobias, Iannuzzi, Marcella, Macgregor, Stuart A |
| المصدر: | Chadwick, F Mark; Rees, Nicholas H; Weller, Andrew S; Krämer, Tobias; Iannuzzi, Marcella; Macgregor, Stuart A (2016). A rhodium-pentane sigma-alkane complex: characterization in the solid state by experimental and computational techniques. Angewandte Chemie Internationale Edition, 55(11):3677-3681. |
| بيانات النشر: | Wiley-VCH Verlag |
| سنة النشر: | 2016 |
| المجموعة: | University of Zurich (UZH): ZORA (Zurich Open Repository and Archive |
| مصطلحات موضوعية: | Department of Chemistry, 540 Chemistry, General Chemistry, Catalysis |
| الوصف: | The pentane σ-complex [Rh{Cy2 P(CH2 CH2 )PCy2 }(η(2) :η(2) -C5 H12 )][BAr(F) 4 ] is synthesized by a solid/gas single-crystal to single-crystal transformation by addition of H2 to a precursor 1,3-pentadiene complex. Characterization by low temperature single-crystal X-ray diffraction (150 K) and SSNMR spectroscopy (158 K) reveals coordination through two Rh⋅⋅⋅H-C interactions in the 2,4-positions of the linear alkane. Periodic DFT calculations and molecular dynamics on the structure in the solid state provide insight into the experimentally observed Rh⋅⋅⋅H-C interaction, the extended environment in the crystal lattice and a temperature-dependent pentane rearrangement implicated by the SSNMR data. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| تدمد: | 1433-7851 |
| العلاقة: | https://www.zora.uzh.ch/128639Test; info:pmid/26880330; urn:issn:1433-7851 |
| DOI: | 10.1002/anie.201511269 |
| الإتاحة: | https://doi.org/10.1002/anie.201511269Test https://www.zora.uzh.ch/id/eprint/128639Test/ https://www.zora.uzh.ch/128639Test |
| حقوق: | info:eu-repo/semantics/closedAccess |
| رقم الانضمام: | edsbas.13D1584E |
| قاعدة البيانات: | BASE |
| تدمد: | 14337851 |
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| DOI: | 10.1002/anie.201511269 |