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| Título: | The structure of 1,1,3-trimethyl-Δ2-pyrazolinium perchlorate: An X-ray crystallographic and GIAO/DFT multinuclear NMR study |
Autor: | Yap, G. P. A.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Jagerovic, Nadine CSIC ORCID | Fecha de publicación: | 2004 | Editor: | IOS Press | Citación: | Spectroscopy 18: 605- 611 (2004) | Resumen: | The crystal and molecular structure of 1,1,3-trimethyl-Δ2- pyrazolinium perchlorate has been determined and compared with those of other pyrazolinium salts (both 1,1 and 1,2-substituted). Reported 13C and 15N chemical shifts for a series of related pyrazolines have been compared with GIAO/DFT calculations, with excellent agreement. The combination of the biological properties of pyrazolines with those of the perchlorate anion in the same molecule will be discussed. | URI: | http://hdl.handle.net/10261/87633 | DOI: | 10.1155/2004/258712 | ISSN: | 0712-4813 |
| Aparece en las colecciones: | (IQOG) Artículos |
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| accesoRestringido.pdf | 15,38 kB | Adobe PDF |  Visualizar/Abrir |
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