Insight into fragmentation of a phosphirane to form phosphinidene complexes: an illustration with the 1-phenylselenylphosphirane W(CO) 5 complex
Density functional theory (DFT) calculations with 1-phenylselenylphosphirane complex 1 provide an insight into phosphirane fragmentation to phosphinidene complexes. FMO and ELF analyses show that the cleavage of two P-C σ bonds of phosphirane proceeds an asynchronous concerted pathway. Transient [Ph...
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| Veröffentlicht in: | Dalton transactions : an international journal of inorganic chemistry 2022-02, Vol.51 (8), p.3046-3050 |
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| container_title | Dalton transactions : an international journal of inorganic chemistry |
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| creator | Qiu, Lingzhi Zhang, Qiaoyu Wei, Donghui Tian, Rongqiang Duan, Zheng |
| description | Density functional theory (DFT) calculations with 1-phenylselenylphosphirane complex 1 provide an insight into phosphirane fragmentation to phosphinidene complexes. FMO and ELF analyses show that the cleavage of two P-C σ bonds of phosphirane proceeds
an asynchronous concerted pathway. Transient [PhSeP-W(CO)
] was generated by dissociation of 1 at 90 °C and trapped with different reagents. The 1-phenoxylphosphirane complex undergoes [1 + 2] retroaddition at a comparatively higher temperature which implies that the lone pair of the adjacent atom center of phosphorus plays a major role in phosphirane fragmentation. |
| doi_str_mv | 10.1039/d1dt04208d |
| format | Article |
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an asynchronous concerted pathway. Transient [PhSeP-W(CO)
] was generated by dissociation of 1 at 90 °C and trapped with different reagents. The 1-phenoxylphosphirane complex undergoes [1 + 2] retroaddition at a comparatively higher temperature which implies that the lone pair of the adjacent atom center of phosphorus plays a major role in phosphirane fragmentation.</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>35133395</pmid><doi>10.1039/d1dt04208d</doi><tpages>5</tpages><orcidid>https://orcid.org/0000-0003-2820-282X</orcidid><orcidid>https://orcid.org/0000-0002-5460-1691</orcidid><orcidid>https://orcid.org/0000-0002-0173-663X</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 1477-9226 |
| ispartof | Dalton transactions : an international journal of inorganic chemistry, 2022-02, Vol.51 (8), p.3046-3050 |
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| language | eng |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Carbon monoxide Covalent bonds Density functional theory Fragmentation Reagents |
| title | Insight into fragmentation of a phosphirane to form phosphinidene complexes: an illustration with the 1-phenylselenylphosphirane W(CO) 5 complex |
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