A theoretical study of the valence tautomerism of 1H-pyrazolium-4-olates (X = O) and related compounds (X = S, Se, NH): relative stabilities, protonation effects, and tautomerization barriers
The valence isomerism of a series of heterocyclic mesomeric betaines (HMBs) belonging to class 5, called pseudo-semi-conjugated HMBs, has been studied theoretically both the neutral and the protonated species. These HMBs are 1H-pyrazol-2-ium-4-olates and related compounds where the oxygen atom has b...
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Detalles Bibliográficos
| Autores: |
Alkorta, Ibon,
Elguero, José |
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| Tipo de recurso: | artículo
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| Estado: | Versión publicada |
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| Fecha de publicación: | 2022 |
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| País: | España |
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| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
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| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
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| OAI Identifier: | oai:digital.csic.es:10261/287617 |
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| Acceso en línea: | http://hdl.handle.net/10261/287617
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| Access Level: | acceso abierto |
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| Palabra clave: | Pyrazoles · Pyrazolium salts · Mesoionic rings · Heterocyclic mesomeric betaines · Bis(arylimino)pentan-3-ones |
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