Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study

Under irradiation, 1,3-bis(diethoxyphosphoryloxy)-4-chlorobenzene (2), 1,4-bis(diethoxyphosphoryloxy)-3-chlorobenzene (3) and 1,3-bis(diethoxyphosphoryloxy)-5-chlorobenzene (4) react with trimethyltinsodium(1) in liquid ammonia giving entirely different distribution of stannylated products. These di...

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Authors: Dorn, Viviana, Silbestri, Gustavo Fabián, Lockhart, María Teresa, Chopa, Alicia Beatriz, Pierini, Adriana Beatriz
Format: article
Status:Published version
Publication Date:2013
Country:Argentina
Institution:Consejo Nacional de Investigaciones Científicas y Técnicas
Repository:CONICET Digital (CONICET)
Language:English
OAI Identifier:oai:ri.conicet.gov.ar:11336/5323
Online Access:http://hdl.handle.net/11336/5323
Access Level:Open access
Keyword:Aryl Phosphates
Srn1
Stannyl Anions
Dft
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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spelling Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT StudyDorn, VivianaSilbestri, Gustavo FabiánLockhart, María TeresaChopa, Alicia BeatrizPierini, Adriana BeatrizAryl PhosphatesSrn1Stannyl AnionsDfthttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Under irradiation, 1,3-bis(diethoxyphosphoryloxy)-4-chlorobenzene (2), 1,4-bis(diethoxyphosphoryloxy)-3-chlorobenzene (3) and 1,3-bis(diethoxyphosphoryloxy)-5-chlorobenzene (4) react with trimethyltinsodium(1) in liquid ammonia giving entirely different distribution of stannylated products. These differences are explained through theoretical DFT studies. Experimental evidence for the involvement of an SRN1 mechanism was obtainedFil: Dorn, Viviana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Instituto de Química del Sur; Argentina. Universidad Nacional del Sur; ArgentinaFil: Silbestri, Gustavo Fabián. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Instituto de Química del Sur; Argentina. Universidad Nacional del Sur; ArgentinaFil: Lockhart, María Teresa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Instituto de Química del Sur; Argentina. Universidad Nacional del Sur; ArgentinaFil: Chopa, Alicia Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Bahía Blanca. Instituto de Química del Sur; Argentina. Universidad Nacional del Sur; ArgentinaFil: Pierini, Adriana Beatriz. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Córdoba. Instituto de Investigaciones En Físicoquímica de Córdoba; Argentina. Universidad Nacional de Córdoba; ArgentinaRoyal Society Of Chemistry2013-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/5323Dorn, Viviana; Silbestri, Gustavo Fabián; Lockhart, María Teresa; Chopa, Alicia Beatriz; Pierini, Adriana Beatriz; Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study; Royal Society Of Chemistry; New Journal Of Chemistry; 37; 4; 2-2013; 1150-11561144-0546enginfo:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2013/nj/c3nj40814kinfo:eu-repo/semantics/altIdentifier/doi/10.1039/c3nj40814kinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T14:25:24Zoai:ri.conicet.gov.ar:11336/5323instacron: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:34982024-05-08 14:25:24.427CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study
title Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study
spellingShingle Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study
Dorn, Viviana
Aryl Phosphates
Srn1
Stannyl Anions
Dft
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
title_short Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study
title_full Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study
title_fullStr Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study
title_full_unstemmed Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study
title_sort Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study
dc.creator.none.fl_str_mv Dorn, Viviana
Silbestri, Gustavo Fabián
Lockhart, María Teresa
Chopa, Alicia Beatriz
Pierini, Adriana Beatriz
author Dorn, Viviana
author_facet Dorn, Viviana
Silbestri, Gustavo Fabián
Lockhart, María Teresa
Chopa, Alicia Beatriz
Pierini, Adriana Beatriz
author_role author
author2 Silbestri, Gustavo Fabián
Lockhart, María Teresa
Chopa, Alicia Beatriz
Pierini, Adriana Beatriz
author2_role author
author
author
author
dc.subject.none.fl_str_mv Aryl Phosphates
Srn1
Stannyl Anions
Dft
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
topic Aryl Phosphates
Srn1
Stannyl Anions
Dft
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
description Under irradiation, 1,3-bis(diethoxyphosphoryloxy)-4-chlorobenzene (2), 1,4-bis(diethoxyphosphoryloxy)-3-chlorobenzene (3) and 1,3-bis(diethoxyphosphoryloxy)-5-chlorobenzene (4) react with trimethyltinsodium(1) in liquid ammonia giving entirely different distribution of stannylated products. These differences are explained through theoretical DFT studies. Experimental evidence for the involvement of an SRN1 mechanism was obtained
publishDate 2013
dc.date.none.fl_str_mv 2013-02
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/11336/5323
Dorn, Viviana; Silbestri, Gustavo Fabián; Lockhart, María Teresa; Chopa, Alicia Beatriz; Pierini, Adriana Beatriz; Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study; Royal Society Of Chemistry; New Journal Of Chemistry; 37; 4; 2-2013; 1150-1156
1144-0546
url http://hdl.handle.net/11336/5323
identifier_str_mv Dorn, Viviana; Silbestri, Gustavo Fabián; Lockhart, María Teresa; Chopa, Alicia Beatriz; Pierini, Adriana Beatriz; Influence of Structural Features of Tri-functionalized Aryl phosphates on the Outcome of the SRN1 Process with Stannyl Anions: a DFT Study; Royal Society Of Chemistry; New Journal Of Chemistry; 37; 4; 2-2013; 1150-1156
1144-0546
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2013/nj/c3nj40814k
info:eu-repo/semantics/altIdentifier/doi/10.1039/c3nj40814k
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
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Royal Society Of Chemistry
publisher.none.fl_str_mv Royal Society Of Chemistry
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
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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score 15.812429

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