How Aromatic Fluorination Exchanges the Interaction Role of Pyridine with Carbonyl Compounds: The Formaldehyde Adduct
he rotational spectrum of the weakly bound complex pentafluoropyridine···formaldehyde has been inves- tigated using Fourier transform microwave spectroscopy. From the analysis of the rotational parameters of the parent species and of the 13C and 15N isotopologues, the structural arrangement of the a...
| Autores: | , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2021 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/250690 |
| Acceso en línea: | http://hdl.handle.net/10261/250690 |
| Access Level: | acceso abierto |
| Palabra clave: | Fluorine Molecular adducts Non-covalent interactions Pi-hole interactions Rotational spectroscopy |
| Sumario: | he rotational spectrum of the weakly bound complex pentafluoropyridine···formaldehyde has been inves- tigated using Fourier transform microwave spectroscopy. From the analysis of the rotational parameters of the parent species and of the 13C and 15N isotopologues, the structural arrangement of the adduct has been unambiguously estab- lished. The full ring fluorination of pyridine has a dramatic effect on its binding properties: It alters the electron density distribution at the π-cloud of pyridine creating a π-hole and changing its electron donor-acceptor capabilities. In the complex, formaldehyde lies above the aromatic ring with one of the oxygen lone pairs, as conventionally envisaged, pointing toward its centre. This lone pair···π-hole interaction, reinforced by a weak C |
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