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NMR spectral fingerprint patterns as diagnostics for the unambiguous configurational analysis of the classic organo‐gelator 1,3: 2,4‐dibenzylidene‐ d ‐sorbitol (DBS) and its derivatives

dc.contributor.authorSánchez Pedregal, Víctor M.
dc.contributor.authorKertesz, Miklos
dc.contributor.authorWeiss, Richard G.
dc.contributor.authorNavarro Vazquez, Armando Juan 
dc.contributor.authorCid Fernández, María Magdalena 
dc.date.accessioned2024-01-24T12:49:38Z
dc.date.issued2021-04-27
dc.identifier.citationMagnetic Resonance in Chemistry, 59(6): 608-613 (2021)spa
dc.identifier.issn07491581
dc.identifier.issn1097458X
dc.identifier.urihttp://hdl.handle.net/11093/5793
dc.description.abstractOn the basis of experimental data and density functional theory (DFT) chemical shift and scalar coupling predictions, simple spectral nuclear magnetic resonance (NMR) fingerprint patterns have been established for the determination of the configuration in 1,3:2,4-dibenzylidene-d-sorbitol (DBS), a classic low molecular weight gelator, and its derivatives. The results rigorously prove the orientation of the phenyl rings in DBS that had been previously assumed in the literature on the basis of thermodynamic arguments.spa
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico | Ref. 311683/2019‐3spa
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico | Ref. 426216/2018‐0spa
dc.description.sponsorshipFundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco | Ref. APQ‐ 1864‐1.06/12spa
dc.description.sponsorshipAgencia Estatal de Investigación | Ref. CTQ2017‐85919‐Rspa
dc.description.sponsorshipXunta de Galicia | Ref. ED431E 2018/07spa
dc.description.sponsorshipXunta de Galicia | Ref. ED431C 2017/70spa
dc.description.sponsorshipXunta de Galicia | Ref. ED431C 2018/04spa
dc.description.sponsorshipNational Science Foundationspa
dc.language.isoengspa
dc.publisherMagnetic Resonance in Chemistryspa
dc.rights© 2020 John Wiley & Sons, Ltd
dc.titleNMR spectral fingerprint patterns as diagnostics for the unambiguous configurational analysis of the classic organo‐gelator 1,3: 2,4‐dibenzylidene‐ d ‐sorbitol (DBS) and its derivativeseng
dc.typearticlespa
dc.rights.accessRightsembargoedAccessspa
dc.identifier.doi10.1002/mrc.5124
dc.identifier.editorhttps://doi.org/10.1002/mrc.5124spa
dc.publisher.departamentoQuímica orgánicaspa
dc.publisher.grupoinvestigacionSíntese, Estructura e Simulación (S3)spa
dc.subject.unesco2306.18 Estructuras de las Moléculas Orgánicasspa
dc.date.embargoEndDateindefinidospa
dc.date.updated2024-01-22T13:55:36Z
dc.computerCitationpub_title=Magnetic Resonance in Chemistry|volume=59|journal_number=6|start_pag=608|end_pag=613spa


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