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| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.provenance | CONICET | - |
| dc.creator | Aridoss, Gopalakrishnan | - |
| dc.creator | Zhao, Chunqing | - |
| dc.creator | Borosky, Gabriela Leonor | - |
| dc.creator | Laali, Kenneth K. | - |
| dc.date | 2018-10-16T20:00:00Z | - |
| dc.date | 2018-10-16T20:00:00Z | - |
| dc.date | 2012-04 | - |
| dc.date | 2018-09-18T16:14:51Z | - |
| dc.date.accessioned | 2019-04-29T15:38:19Z | - |
| dc.date.available | 2019-04-29T15:38:19Z | - |
| dc.date.issued | 2012-04 | - |
| dc.identifier | Aridoss, Gopalakrishnan; Zhao, Chunqing; Borosky, Gabriela Leonor; Laali, Kenneth K.; Experimental and GIAO 15N NMR study of substituent effects in 1 H -tetrazoles; American Chemical Society; Journal of Organic Chemistry; 77; 8; 4-2012; 4152-4155 | - |
| dc.identifier | 0022-3263 | - |
| dc.identifier | http://hdl.handle.net/11336/62479 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/298241 | - |
| dc.description | A series of 1-aryl/alkyl-1H-1,2,3,4-tetrazoles, 5-substituted 1H-tetrazoles, and 1,5- and 2,5-disubstituted 1H-tetrazoles were studied by a combination of experimental NMR (natural abundance 15N, 15N/ 1H HMBC, and 13C) and computational GIAO-NMR techniques to explore substituent effects on 15N (and 13C) NMR chemical shifts in the tetrazole (TA) moiety. Computed 15N chemical shifts via GIAO-B3LYP/6-311+G(2d,p) calculations gave satisfactory results in comparison with experimental data. Whereas N-alkylation leads to large 15N chemical shift changes, changes in the N 1-aryl derivatives bearing diverse substituent(s) are generally small except for polar ortho-substituents (COOH, NO 2). Large δδ 15N values were computed in N 1-aryl derivatives for p-COH 2 + and p-OMeH + as extreme examples of electron-withdrawing substituents on a TA moiety. © 2012 American Chemical Society. | - |
| dc.description | Fil: Aridoss, Gopalakrishnan. University of North Florida; Estados Unidos | - |
| dc.description | Fil: Zhao, Chunqing. University of North Florida; Estados Unidos | - |
| dc.description | Fil: Borosky, Gabriela Leonor. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina | - |
| dc.description | Fil: Laali, Kenneth K.. University of North Florida; Estados Unidos | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | American Chemical Society | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1021/jo300242s | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jo300242s | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.source.uri | http://hdl.handle.net/11336/62479 | - |
| dc.subject | 15N NMR | - |
| dc.subject | TETRAZOLES | - |
| dc.subject | SUBSTITUENT EFFECTS | - |
| dc.subject | Otras Ciencias Químicas | - |
| dc.subject | Ciencias Químicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | Experimental and GIAO 15N NMR study of substituent effects in 1 H -tetrazoles | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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