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
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/114300
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling 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 Técnicas2025-10-15T15:26:01Zoai: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:34982025-10-15 15:26:01.936CONICET 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
_version_ 1846083403972083712
score 13.22299

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