Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.provenance | CONICET | - |
| dc.creator | Fernandez, Gabriela Araceli | - |
| dc.creator | Dorn, Viviana | - |
| dc.creator | Chopa, Alicia Beatriz | - |
| dc.creator | Silbestri, Gustavo Fabián | - |
| dc.date | 2018-06-22T21:51:12Z | - |
| dc.date | 2018-06-22T21:51:12Z | - |
| dc.date | 2017-12 | - |
| dc.date | 2018-06-19T15:58:57Z | - |
| dc.date.accessioned | 2019-04-29T15:30:02Z | - |
| dc.date.available | 2019-04-29T15:30:02Z | - |
| dc.date.issued | 2018-06-22T21:51:12Z | - |
| dc.date.issued | 2018-06-22T21:51:12Z | - |
| dc.date.issued | 2017-12 | - |
| dc.date.issued | 2018-06-19T15:58:57Z | - |
| dc.identifier | Fernandez, Gabriela Araceli; Dorn, Viviana; Chopa, Alicia Beatriz; Silbestri, Gustavo Fabián; Steric hindrance and electronic effects of sulfonatepropyl chain on gold center. An experimental and DFT study; Elsevier Science Sa; Journal of Organometallic Chemistry; 852; 12-2017; 20-26 | - |
| dc.identifier | 0022-328X | - |
| dc.identifier | http://hdl.handle.net/11336/49838 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/295257 | - |
| dc.description | Density Functional Theories (DFT) methods were applied to describe the catalytic effect of a series of sulfonated NHC gold(I) complexes In order to explain the experimental results obtained in the hydration of phenylacetylene in aqueous media. The complexes [1,3-bis(2,6-diisopropyl-4-sodiumsulfonatophenyl)imidazol-2-ylidene]gold(I) chloride (C1) and [(3-sulfonatepropyl)imidazol-2-ylidene]gold(I) chloride (C5) were considered representative compounds based on their structure and reactivity. In accordance to the experimental results, the DFT studies show that the alkyl chain folds generate a strong steric hindrance and electronic effects on the metal center causing a decrease of the catalytic activity. | - |
| dc.description | Fil: Fernandez, Gabriela Araceli. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina | - |
| dc.description | Fil: Dorn, Viviana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina | - |
| dc.description | Fil: Chopa, Alicia Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina | - |
| dc.description | Fil: Silbestri, Gustavo Fabián. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Elsevier Science Sa | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0022328X17305600 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.jorganchem.2017.09.040 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.source.uri | http://hdl.handle.net/11336/49838 | - |
| dc.subject | DFT METHODS | - |
| dc.subject | N-HETEROCYCLIC CARBENE | - |
| dc.subject | WATER-SOLUBLE AU(I) | - |
| dc.subject | Otras Ciencias Químicas | - |
| dc.subject | Ciencias Químicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Steric hindrance and electronic effects of sulfonatepropyl chain on gold center. An experimental and DFT study | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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