A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods
- Autores
- Mancini, Pedro Maximo Emilio; Adam, Claudia Guadalupe; Fortunato, Graciela Guadalupe; Vottero, Leonor
- Año de publicación
- 2007
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The active role of solvents in physicochemical processes in solution has been long recognized. Different solvatochromic empirical scales are aimed at describing and quantifying the nonspecific interactions at a molecular level. This work presents a new insight into the comparison of the famous ET(30) (Dimroth-Reichardt) and ð* (Kamlet, Abboud, Taft) solvatochromic scales. These parameters were tested against the data derived from theoretical solvent-induced shifts in the UV-vis spectra of the corresponding reference solutes (Matyushov et al.). In each case we centered the attention on the analysis of the degree of agreement between paired values quantified through both scales by applying the methodology described by J. M. Bland and D. G. Altman. In addition, the linear correlations are assessed. The study reflects that a) the scales involved in this comparison are clearly dependent on the type of probe used to quantify the solvent property, and b) the experimental parameters, in general, do not agree with the theoretical ones. These results were related with the contributions of induction, dispersion and dipole-dipole forces to the overall solvent effect. It is expected that the results will be contribute to the evaluation of the ability of the microscopic chemical scales to describe the solute-solvent interactions.
Fil: Mancini, Pedro Maximo Emilio. Universidad Nacional del Litoral; Argentina
Fil: Adam, Claudia Guadalupe. Universidad Nacional del Litoral. Instituto de Química Aplicada del Litoral. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Química Aplicada del Litoral.; Argentina
Fil: Fortunato, Graciela Guadalupe. Universidad Nacional del Litoral; Argentina
Fil: Vottero, Leonor. Universidad Nacional del Litoral; Argentina - Materia
-
microscopic solvent properties
empirical polarity scales
degree of agreement - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/114300
Ver los metadatos del registro completo
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A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methodsMancini, Pedro Maximo EmilioAdam, Claudia GuadalupeFortunato, Graciela GuadalupeVottero, Leonormicroscopic solvent propertiesempirical polarity scalesdegree of agreementhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The active role of solvents in physicochemical processes in solution has been long recognized. Different solvatochromic empirical scales are aimed at describing and quantifying the nonspecific interactions at a molecular level. This work presents a new insight into the comparison of the famous ET(30) (Dimroth-Reichardt) and ð* (Kamlet, Abboud, Taft) solvatochromic scales. These parameters were tested against the data derived from theoretical solvent-induced shifts in the UV-vis spectra of the corresponding reference solutes (Matyushov et al.). In each case we centered the attention on the analysis of the degree of agreement between paired values quantified through both scales by applying the methodology described by J. M. Bland and D. G. Altman. In addition, the linear correlations are assessed. The study reflects that a) the scales involved in this comparison are clearly dependent on the type of probe used to quantify the solvent property, and b) the experimental parameters, in general, do not agree with the theoretical ones. These results were related with the contributions of induction, dispersion and dipole-dipole forces to the overall solvent effect. It is expected that the results will be contribute to the evaluation of the ability of the microscopic chemical scales to describe the solute-solvent interactions.Fil: Mancini, Pedro Maximo Emilio. Universidad Nacional del Litoral; ArgentinaFil: Adam, Claudia Guadalupe. Universidad Nacional del Litoral. Instituto de Química Aplicada del Litoral. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Química Aplicada del Litoral.; ArgentinaFil: Fortunato, Graciela Guadalupe. Universidad Nacional del Litoral; ArgentinaFil: Vottero, Leonor. Universidad Nacional del Litoral; ArgentinaArkat USA2007-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/114300Mancini, Pedro Maximo Emilio; Adam, Claudia Guadalupe; Fortunato, Graciela Guadalupe; Vottero, Leonor; A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods; Arkat USA; Arkivoc; 2007; 16; 12-2007; 1424-63761424-6376CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.3998/ark.5550190.0008.g27info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:28:54Zoai:ri.conicet.gov.ar:11336/114300instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:28:54.895CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods |
title |
A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods |
spellingShingle |
A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods Mancini, Pedro Maximo Emilio microscopic solvent properties empirical polarity scales degree of agreement |
title_short |
A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods |
title_full |
A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods |
title_fullStr |
A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods |
title_full_unstemmed |
A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods |
title_sort |
A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods |
dc.creator.none.fl_str_mv |
Mancini, Pedro Maximo Emilio Adam, Claudia Guadalupe Fortunato, Graciela Guadalupe Vottero, Leonor |
author |
Mancini, Pedro Maximo Emilio |
author_facet |
Mancini, Pedro Maximo Emilio Adam, Claudia Guadalupe Fortunato, Graciela Guadalupe Vottero, Leonor |
author_role |
author |
author2 |
Adam, Claudia Guadalupe Fortunato, Graciela Guadalupe Vottero, Leonor |
author2_role |
author author author |
dc.subject.none.fl_str_mv |
microscopic solvent properties empirical polarity scales degree of agreement |
topic |
microscopic solvent properties empirical polarity scales degree of agreement |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
The active role of solvents in physicochemical processes in solution has been long recognized. Different solvatochromic empirical scales are aimed at describing and quantifying the nonspecific interactions at a molecular level. This work presents a new insight into the comparison of the famous ET(30) (Dimroth-Reichardt) and ð* (Kamlet, Abboud, Taft) solvatochromic scales. These parameters were tested against the data derived from theoretical solvent-induced shifts in the UV-vis spectra of the corresponding reference solutes (Matyushov et al.). In each case we centered the attention on the analysis of the degree of agreement between paired values quantified through both scales by applying the methodology described by J. M. Bland and D. G. Altman. In addition, the linear correlations are assessed. The study reflects that a) the scales involved in this comparison are clearly dependent on the type of probe used to quantify the solvent property, and b) the experimental parameters, in general, do not agree with the theoretical ones. These results were related with the contributions of induction, dispersion and dipole-dipole forces to the overall solvent effect. It is expected that the results will be contribute to the evaluation of the ability of the microscopic chemical scales to describe the solute-solvent interactions. Fil: Mancini, Pedro Maximo Emilio. Universidad Nacional del Litoral; Argentina Fil: Adam, Claudia Guadalupe. Universidad Nacional del Litoral. Instituto de Química Aplicada del Litoral. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Química Aplicada del Litoral.; Argentina Fil: Fortunato, Graciela Guadalupe. Universidad Nacional del Litoral; Argentina Fil: Vottero, Leonor. Universidad Nacional del Litoral; Argentina |
description |
The active role of solvents in physicochemical processes in solution has been long recognized. Different solvatochromic empirical scales are aimed at describing and quantifying the nonspecific interactions at a molecular level. This work presents a new insight into the comparison of the famous ET(30) (Dimroth-Reichardt) and ð* (Kamlet, Abboud, Taft) solvatochromic scales. These parameters were tested against the data derived from theoretical solvent-induced shifts in the UV-vis spectra of the corresponding reference solutes (Matyushov et al.). In each case we centered the attention on the analysis of the degree of agreement between paired values quantified through both scales by applying the methodology described by J. M. Bland and D. G. Altman. In addition, the linear correlations are assessed. The study reflects that a) the scales involved in this comparison are clearly dependent on the type of probe used to quantify the solvent property, and b) the experimental parameters, in general, do not agree with the theoretical ones. These results were related with the contributions of induction, dispersion and dipole-dipole forces to the overall solvent effect. It is expected that the results will be contribute to the evaluation of the ability of the microscopic chemical scales to describe the solute-solvent interactions. |
publishDate |
2007 |
dc.date.none.fl_str_mv |
2007-12 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://hdl.handle.net/11336/114300 Mancini, Pedro Maximo Emilio; Adam, Claudia Guadalupe; Fortunato, Graciela Guadalupe; Vottero, Leonor; A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods; Arkat USA; Arkivoc; 2007; 16; 12-2007; 1424-6376 1424-6376 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/114300 |
identifier_str_mv |
Mancini, Pedro Maximo Emilio; Adam, Claudia Guadalupe; Fortunato, Graciela Guadalupe; Vottero, Leonor; A comparison of nonspecific solvent scales. Degree of agreement of microscopic polarity values obtained by different measurement methods; Arkat USA; Arkivoc; 2007; 16; 12-2007; 1424-6376 1424-6376 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.3998/ark.5550190.0008.g27 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
dc.format.none.fl_str_mv |
application/pdf application/pdf application/pdf |
dc.publisher.none.fl_str_mv |
Arkat USA |
publisher.none.fl_str_mv |
Arkat USA |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
reponame_str |
CONICET Digital (CONICET) |
collection |
CONICET Digital (CONICET) |
instname_str |
Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.name.fl_str_mv |
CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.mail.fl_str_mv |
dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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1844614293930115072 |
score |
13.070432 |