Source:http://linkedlifedata.com/resource/pubmed/id/14673857
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
23
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pubmed:dateCreated |
2003-12-15
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pubmed:abstractText |
Density functional calculations are reported for complexes of general formula [(carbene)RhClL(2)] featuring model phosphino- and aminocarbenes. Both the cis and trans isomers of the rhodium(I) eta(1)-complexes (1-9) were investigated, and the influence of the rhodium co-ligands (L=ethylene, phosphine, or carbon monoxide) was evaluated. In the case of phosphinocarbenes and carbon monoxide as a ligand, a somewhat unusual coordination mode was observed, in which a significant intramolecular Cl-->C(carbene) interaction is present. The propensity of phosphino- and aminocarbenes to behave as four electron donors was also investigated both structurally and energetically on the related eta(2)-complexes 10-18. These results as a whole emphasize the structural versatility of phosphino- compared with aminocarbene complexes.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:status |
PubMed-not-MEDLINE
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pubmed:month |
Dec
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pubmed:issn |
0947-6539
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pubmed:author | |
pubmed:issnType |
Print
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pubmed:day |
5
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pubmed:volume |
9
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
5858-64
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pubmed:dateRevised |
2009-8-4
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pubmed:year |
2003
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pubmed:articleTitle |
Theoretical study of rhodium(I) carbene complexes: the structural versatility of phosphino- compared with aminocarbenes.
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pubmed:affiliation |
Laboratoire de Chimie Théorique et Physico-Chimie, Moléculaire du CNRS (UMR 5624), Université de Pau et des Pays de L'Adour, Avenue de L'Université, BP 1155, 64013 Pau, France.
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pubmed:publicationType |
Journal Article
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