Experimental and theoretical studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol in the rhenium(I) core

NEW JOURNAL OF CHEMISTRY

dc.creatorCarreno, Alexander
dc.creatorGacitúa, Manuel
dc.creatorSchott, Eduardo
dc.creatorZarate, Ximena
dc.creatorManríquez, Juan Manuel
dc.creatorPreite, Marcelo
dc.creatorLadeira, Sonia
dc.creatorCastel, Annie
dc.creatorPizarro, Nancy
dc.creatorVega, Andrés
dc.creatorChávez, Ivonne
dc.creatorArratia-Pérez, Ramiro
dc.date2021-08-23T22:49:53Z
dc.date2022-07-08T20:24:09Z
dc.date2021-08-23T22:49:53Z
dc.date2022-07-08T20:24:09Z
dc.date2015
dc.date.accessioned2023-08-22T01:23:22Z
dc.date.available2023-08-22T01:23:22Z
dc.identifier1151092
dc.identifier1151092
dc.identifierhttps://hdl.handle.net/10533/250498
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/8305589
dc.descriptionThe fac-[Re(CO)(3)(deeb)L](+) complex (C2) where L is the (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol ancillary ligand, which presents an intramolecular hydrogen bond, has been synthesized and characterized using UV-vis, H-1-NMR, FT-IR, cyclic voltammetry and DFT calculations. The UV-vis absorption and emission properties have been studied at room temperature and the results were compared with TDDFT calculations including spin-orbit effects. We report an alternative synthesis route for the fac-Re(CO)(3)(deeb)Br (C1) complex where deeb = (4,4'-diethanoate)-2,2'-bpy. Besides, we have found that the C1 shows a red shift in the emission spectrum due to the nature of the ancillary electron donating ligand, while the C2 complex shows a blue shift in the emission spectrum suggesting that the ancillary ligand L has electron withdrawing ability and the importance of the intramolecular hydrogen bond. The calculations suggest that an experimental mixed absorption band at 361 nm could be assigned to MLCT and LLCT transitions. The electron withdrawing nature of the ancillary ligand in C2 explains the electrochemical behavior, which shows the oxidation of Re-I at 1.83 V and the reduction of deeb at -0.77 V.
dc.descriptionRegular 2015
dc.descriptionFONDECYT
dc.descriptionFONDECYT
dc.languageeng
dc.relationhandle/10533/111557
dc.relationhandle/10533/111541
dc.relationhandle/10533/108045
dc.relationhttps://doi.org/10.1039/c5nj00772k
dc.rightsAtribución-NoComercial-SinDerivadas 3.0 Chile
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.rightsinfo:eu-repo/semantics/article
dc.rightsinfo:eu-repo/semantics/openAccess
dc.titleExperimental and theoretical studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol in the rhenium(I) core
dc.titleNEW JOURNAL OF CHEMISTRY
dc.typeArticulo
dc.typeinfo:eu-repo/semantics/publishedVersion


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