Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
23
pubmed:dateCreated
2003-12-15
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.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Dec
pubmed:issn
0947-6539
pubmed:author
pubmed:issnType
Print
pubmed:day
5
pubmed:volume
9
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
5858-64
pubmed:dateRevised
2009-8-4
pubmed:year
2003
pubmed:articleTitle
Theoretical study of rhodium(I) carbene complexes: the structural versatility of phosphino- compared with aminocarbenes.
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.
pubmed:publicationType
Journal Article