Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Nieto, Carla I. | - |
| dc.creator | Abelaira, Pilar | - |
| dc.creator | Claramunt, Rosa M. | - |
| dc.creator | Cornago, Pilar | - |
| dc.creator | Sanz, Dionisia | - |
| dc.creator | Torralba, M. Carmen | - |
| dc.creator | Torres, M. Rosario | - |
| dc.creator | Ferraro, Marta Beatriz | - |
| dc.creator | Ibon Alkorta | - |
| dc.creator | Marín Luna, M. | - |
| dc.creator | Elguero, José | - |
| dc.date | 2018-06-08T17:18:44Z | - |
| dc.date | 2018-06-08T17:18:44Z | - |
| dc.date | 2016-01 | - |
| dc.date | 2018-05-21T17:23:12Z | - |
| dc.date.accessioned | 2019-04-29T15:49:38Z | - |
| dc.date.available | 2019-04-29T15:49:38Z | - |
| dc.date.issued | 2016-01 | - |
| dc.identifier | Nieto, Carla I.; Abelaira, Pilar; Claramunt, Rosa M.; Cornago, Pilar; Sanz, Dionisia; et al.; The structure of b-diketones related to curcumin determined by X-ray crystallography, NMR (solution and solid state) and theoretical calculations; Springer/Plenum Publishers; Structural Chemistry; 27; 2; 1-2016; 705-730 | - |
| dc.identifier | 1040-0400 | - |
| dc.identifier | http://hdl.handle.net/11336/47885 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/303083 | - |
| dc.description | <style type="text/css">p { margin-bottom: 0.25cm; direction: ltr; color: rgb(0, 0, 0); line-height: 120%; }p.western { font-family: "Times New Roman",serif; font-size: 12pt; }p.cjk { font-family: "Times New Roman",serif; font-size: 12pt; }p.ctl { font-family: "Times New Roman",serif; font-size: 12pt; }a:visited { color: rgb(128, 0, 128); }a.western:visited { }a.cjk:visited { }a.ctl:visited { }a:link { color: rgb(0, 0, 255); }Structural data are reported on sixteen ketoenols of β-diketones:solution NMR, solid-state NMR (CPMAS and MAS) and X-raycrystallography (eight compounds, where three are new). The emphasisis on the tautomerism between both ketoenols, in solution and in the solid statep { margin-bottom: 0.25cm; direction: ltr; color: rgb(0, 0, 0); line-height: 120%; }p.western { font-family: "Times New Roman",serif; font-size: 12pt; }p.cjk { font-family: "Times New Roman",serif; font-size: 12pt; }p.ctl { font-family: "Times New Roman",serif; font-size: 12pt; }a:visited { color: rgb(128, 0, 128); }a.western:visited { }a.cjk:visited { }a.ctl:visited { }a:link { color: rgb(0, 0, 255); }</style>Structural data are reported in sixteen ketoenols of beta diketones, solution NMR, solid-state NMR<br />(CPMAS and MAS) and X-ray crystallography (four compounds, where three are new). The emphasis is on the tautomerist between both ketoenols, both in solution and solid-state. GIAO-B3LYP 6-311g (d,p) and Quantum ESPRESSO (QE) calculations were used and compared. For average values, the GIAO-DMSO-PCM is enough but splittings can only be approached by using QE. A case of rotational disorder has been analyzed. Some anomalies related to C-F bonds and to the C-CF<sub>3</sub> group have been detected. | - |
| dc.description | Fil: Nieto, Carla I.. Universidad Autónoma de Madrid; España | - |
| dc.description | Fil: Abelaira, Pilar. Universidad Autónoma de Madrid; España | - |
| dc.description | Fil: Claramunt, Rosa M.. Universidad Autónoma de Madrid; España | - |
| dc.description | Fil: Cornago, Pilar. Universidad Autónoma de Madrid; España | - |
| dc.description | Fil: Sanz, Dionisia. Universidad Autónoma de Madrid; España | - |
| dc.description | Fil: Torralba, M. Carmen. Universidad Complutense de Madrid; España | - |
| dc.description | Fil: Torres, M. Rosario. Universidad Complutense de Madrid; España | - |
| dc.description | Fil: Ferraro, Marta Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina | - |
| dc.description | Fil: Ibon Alkorta. Instituto de Quımica Medica; España | - |
| dc.description | Fil: Marín Luna, M.. Instituto de Quımica Medica; España | - |
| dc.description | Fil: Elguero, José. Instituto de Quımica Medica; España | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Springer/Plenum Publishers | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1007/s11224-015-0704-7 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007%2Fs11224-015-0704-7 | - |
| 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.subject | NMR | - |
| dc.subject | GIAO/B3LYP | - |
| dc.subject | QUANTUM ESPRESSO | - |
| dc.subject | CPMAS/MAS | - |
| dc.subject | Astronomía | - |
| dc.subject | Ciencias Físicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | The structure of b-diketones related to curcumin determined by X-ray crystallography, NMR (solution and solid state) and theoretical calculations | - |
| 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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