Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Martínez Saavedra, Héctor Hernando | - |
| dc.creator | Franca, Carlos Alberto | - |
| dc.creator | Petroselli, Gabriela | - |
| dc.creator | Erra Balsells, Rosa | - |
| dc.creator | Ruiz, Gustavo Teodosio | - |
| dc.creator | Wolcan, Ezequiel | - |
| dc.date | 2015-09-25T12:35:50Z | - |
| dc.date | 2015-09-25T12:35:50Z | - |
| dc.date | 2013-11-15 | - |
| dc.date | 2016-03-30 10:35:44.97925-03 | - |
| dc.date.accessioned | 2019-04-29T15:40:06Z | - |
| dc.date.available | 2019-04-29T15:40:06Z | - |
| dc.date.issued | 2015-09-25T12:35:50Z | - |
| dc.date.issued | 2015-09-25T12:35:50Z | - |
| dc.date.issued | 2013-11-15 | - |
| dc.date.issued | 2016-03-30 10:35:44.97925-03 | - |
| dc.identifier | Martínez Saavedra, Héctor Hernando; Franca, Carlos Alberto; Petroselli, Gabriela; Erra Balsells, Rosa; Ruiz, Gustavo Teodosio; et al.; A new zwitterionic, water soluble, Re(I) complex: Synthesis, spectroscopic and computational characterization; Elsevier; Journal of Organometallic Chemistry; 745-746; 15-11-2013; 470-478 | - |
| dc.identifier | 0022-328X | - |
| dc.identifier | http://hdl.handle.net/11336/2113 | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/299016 | - |
| dc.description | A new water soluble Re(I) complex with a zwitterionic structure, Bu4N[(bpy)Re(CO)3(dcbpy)] (where Bu ¼ butyl; bpy ¼ 4,40 -bipyridine; dcbpy ¼ 2,20 -bipyridine-5,50 -dicarboxylate), was successfully synthesized and characterized by elemental analysis, 1 H NMR, FTIR and ESI. Protonation studies in aqueous solutions of the Re(I) complex showed three acidebase equilibriums with pKa1 ¼ 5.0, pKa2 ¼ 3.0 and pKa3 ¼ 2.0. pKa1 was assigned to the protonation equilibrium at bpy while pKa2 and pKa3 could be ascribed to protonation/deprotonation of the two carboxylates groups in the dcbpy ligand. With the aid of TD-DFT calculations the nature of the electronic transitions responsible for the pH-dependent UVevis spectroscopy of the Re(I) complex was identified. At pH ¼ 7 the lower energy band of the complex has MLLCTRe(CO)3/dcbpy character while at pH < 2 it switches to MLLCTRe(CO)3/bpy. This change in the nature of the lower energy band is responsible for the overall spectral changes in the 350e500 nm range after protonation of the Re(I) complex. | - |
| dc.description | Fil: Martínez Saavedra, Héctor Hernando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina; | - |
| dc.description | Fil: Franca, Carlos Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico La Plata. Centro de Química Inorgánica; Argentina; Universidad Nacional de La Plata; Argentina; | - |
| dc.description | Fil: Petroselli, Gabriela. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Centro de Investigaciones en Hidratos de Carbono; Argentina; | - |
| dc.description | Fil: Erra Balsells, Rosa. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Centro de Investigaciones en Hidratos de Carbono; Argentina; | - |
| dc.description | Fil: Ruiz, Gustavo Teodosio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina; | - |
| dc.description | Fil: Wolcan, Ezequiel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina; | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | Elsevier | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022328X13006608 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.jorganchem.2013.08.038 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-nd/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 | Re(I) complex | - |
| dc.subject | Zwitterionic | - |
| dc.subject | MLLCT | - |
| dc.subject | Acid-base equilibriums | - |
| dc.subject | TD-DFT | - |
| dc.subject | Química Inorgánica y Nuclear | - |
| dc.subject | Ciencias Químicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | A new zwitterionic, water soluble, Re(I) complex: Synthesis, spectroscopic and computational characterization | - |
| 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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