Solvatochromism and electrophilicity
dc.contributor.author | Caroli Rezende, Marcos | |
dc.contributor.author | Dominguez, Moises | |
dc.contributor.author | Aracena, Andres | |
dc.contributor.author | Millan, Daniela | |
dc.date.accessioned | 2024-01-10T14:21:41Z | |
dc.date.available | 2024-01-10T14:21:41Z | |
dc.date.issued | 2011 | |
dc.description.abstract | Solvatochromic dyes that exhibit a negative or a positive behaviour may be distinguished and their solvatochromism predicted with the aid of DFT-based indices, such as their electrophilicity omega, hardness eta and by the Fukui electrophilic functions f(G)(+) of the donor and acceptor moieties of the molecule, calculated in the gas-phase and in solvents treated as polarised continua. The protocol was successfully applied to 10 examples of phenolate betaines from the literature, five of them exhibiting a negative and five a positive solvatochromism. (C) 2011 Elsevier B.V. All rights reserved. | |
dc.description.funder | Fondecyt | |
dc.fechaingreso.objetodigital | 2024-04-02 | |
dc.format.extent | 7 páginas | |
dc.fuente.origen | WOS | |
dc.identifier.doi | 10.1016/j.cplett.2011.08.070 | |
dc.identifier.issn | 0009-2614 | |
dc.identifier.uri | https://doi.org/10.1016/j.cplett.2011.08.070 | |
dc.identifier.uri | https://repositorio.uc.cl/handle/11534/79754 | |
dc.identifier.wosid | WOS:000295831700015 | |
dc.information.autoruc | Química;Millan D ;S/I;181462 | |
dc.issue.numero | 4-6 | |
dc.language.iso | en | |
dc.nota.acceso | contenido parcial | |
dc.pagina.final | 273 | |
dc.pagina.inicio | 267 | |
dc.publisher | ELSEVIER SCIENCE BV | |
dc.revista | CHEMICAL PHYSICS LETTERS | |
dc.rights | acceso restringido | |
dc.subject | PHENOLATE BETAINE DYES | |
dc.subject | SOLVENT POLARITY | |
dc.subject | MOLECULES | |
dc.subject | PROBE | |
dc.subject | MODEL | |
dc.subject | VIEW | |
dc.subject.ods | 03 Good Health and Well-being | |
dc.subject.odspa | 03 Salud y bienestar | |
dc.title | Solvatochromism and electrophilicity | |
dc.type | artículo | |
dc.volumen | 514 | |
sipa.codpersvinculados | 181462 | |
sipa.index | WOS | |
sipa.index | Scopus | |
sipa.trazabilidad | Carga SIPA;09-01-2024 |
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